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Trifluoromethylbenzenes

Organic compounds that consist of a phenyl group bonded to a carbon that is bonded to three fluorine atoms in the following structure: C6H5CF3; also known as benzotrifluoride.
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1 – 15 of 553 results
1

TraceCERT™ 2,4-Dichlorobenzotrifluoride, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

2

Bicalutamide Impurity D, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

3

2-Chloro-5-(trifluoromethyl)phenylacetic acid, 97%

CAS: 22893-39-6 Molecular Formula: C9H6ClF3O2 Molecular Weight (g/mol): 238.59 MDL Number: MFCD01631471 InChI Key: PDKWZFJSOMUXLE-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl PubChem CID: 2778119 IUPAC Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F

PubChem CID 2778119
CAS 22893-39-6
Molecular Weight (g/mol) 238.59
MDL Number MFCD01631471
SMILES OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F
Synonym 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl
IUPAC Name 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid
InChI Key PDKWZFJSOMUXLE-UHFFFAOYSA-N
Molecular Formula C9H6ClF3O2
4

2-Iodobenzotrifluoride, 99%

CAS: 444-29-1 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001041 InChI Key: IGZGUYVVBABKOY-UHFFFAOYSA-N Synonym: 2-iodobenzotrifluoride,1-iodo-2-trifluoromethyl benzene,o-iodobenzotrifluoride,benzene, 1-iodo-2-trifluoromethyl,2-iodobenztrifluoride,o-trifluoromethyliodobenzene,2-iodo-alpha,alpha,alpha-trifluorotoluene,iodobenzotrifluoride,2-iodo-a,a,a-trifluorotoluene,2-iodobenzotrifloride PubChem CID: 67957 IUPAC Name: 1-iodo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)I

PubChem CID 67957
CAS 444-29-1
Molecular Weight (g/mol) 272.009
MDL Number MFCD00001041
SMILES C1=CC=C(C(=C1)C(F)(F)F)I
Synonym 2-iodobenzotrifluoride,1-iodo-2-trifluoromethyl benzene,o-iodobenzotrifluoride,benzene, 1-iodo-2-trifluoromethyl,2-iodobenztrifluoride,o-trifluoromethyliodobenzene,2-iodo-alpha,alpha,alpha-trifluorotoluene,iodobenzotrifluoride,2-iodo-a,a,a-trifluorotoluene,2-iodobenzotrifloride
IUPAC Name 1-iodo-2-(trifluoromethyl)benzene
InChI Key IGZGUYVVBABKOY-UHFFFAOYSA-N
Molecular Formula C7H4F3I
5

2-Fluoro-4-(trifluoromethyl)benzaldehyde, 97%

CAS: 89763-93-9 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 MDL Number: MFCD00061310 InChI Key: KFEHNXLFIGPWNB-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde PubChem CID: 522929 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=O

PubChem CID 522929
CAS 89763-93-9
Molecular Weight (g/mol) 192.113
MDL Number MFCD00061310
SMILES C1=CC(=C(C=C1C(F)(F)F)F)C=O
Synonym 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde
IUPAC Name 2-fluoro-4-(trifluoromethyl)benzaldehyde
InChI Key KFEHNXLFIGPWNB-UHFFFAOYSA-N
Molecular Formula C8H4F4O
6

3-(Trifluoromethyl)benzyl alcohol, 97%

CAS: 349-75-7 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004645 InChI Key: BXEHKCUWIODEDE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl alcohol,3-trifluoromethylbenzyl alcohol,3-trifluoromethyl phenyl methanol,3-trifluoromethyl benzylalcohol,m-trifluoromethylbenzyl alcohol,m-trifluoromethyl benzyl alcohol,3-trifluoromethyl benzylic alcohol,benzenemethanol, 3-trifluoromethyl,m-trifluorome benzyl alcohol PubChem CID: 67681 IUPAC Name: [3-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CO

PubChem CID 67681
CAS 349-75-7
Molecular Weight (g/mol) 176.138
MDL Number MFCD00004645
SMILES C1=CC(=CC(=C1)C(F)(F)F)CO
Synonym 3-trifluoromethyl benzyl alcohol,3-trifluoromethylbenzyl alcohol,3-trifluoromethyl phenyl methanol,3-trifluoromethyl benzylalcohol,m-trifluoromethylbenzyl alcohol,m-trifluoromethyl benzyl alcohol,3-trifluoromethyl benzylic alcohol,benzenemethanol, 3-trifluoromethyl,m-trifluorome benzyl alcohol
IUPAC Name [3-(trifluoromethyl)phenyl]methanol
InChI Key BXEHKCUWIODEDE-UHFFFAOYSA-N
Molecular Formula C8H7F3O
7

3-(Trifluoromethyl)benzoic acid, 98+%

CAS: 454-92-2 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002519 InChI Key: FQXQBFUUVCDIRK-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoic acid,m-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-m-toluic acid,3-carboxybenzotrifluoride,3-trifluoromethyl-benzoic acid,benzoic acid, 3-trifluoromethyl,m-trifluoromethyl benzoic acid,3-trifluoromethyl benzoicacid,m-carboxybenzotrifluoride,a,a,a-trifluoro-m-toluic acid PubChem CID: 9963 ChEBI: CHEBI:60695 IUPAC Name: 3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 9963
CAS 454-92-2
Molecular Weight (g/mol) 190.12
ChEBI CHEBI:60695
MDL Number MFCD00002519
SMILES OC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl benzoic acid,m-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-m-toluic acid,3-carboxybenzotrifluoride,3-trifluoromethyl-benzoic acid,benzoic acid, 3-trifluoromethyl,m-trifluoromethyl benzoic acid,3-trifluoromethyl benzoicacid,m-carboxybenzotrifluoride,a,a,a-trifluoro-m-toluic acid
IUPAC Name 3-(trifluoromethyl)benzoic acid
InChI Key FQXQBFUUVCDIRK-UHFFFAOYSA-N
Molecular Formula C8H5F3O2
8

4-Formyl-3-(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals

CAS: 1072944-24-1 Molecular Formula: C8H6BF3O3 Molecular Weight (g/mol): 217.938 MDL Number: MFCD09037498 InChI Key: OQDHNEKEJVPVDS-UHFFFAOYSA-N Synonym: 4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid PubChem CID: 44755197 IUPAC Name: [4-formyl-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O

PubChem CID 44755197
CAS 1072944-24-1
Molecular Weight (g/mol) 217.938
MDL Number MFCD09037498
SMILES B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O
Synonym 4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid
IUPAC Name [4-formyl-3-(trifluoromethyl)phenyl]boronic acid
InChI Key OQDHNEKEJVPVDS-UHFFFAOYSA-N
Molecular Formula C8H6BF3O3
9

4-Methoxy-2-(trifluoromethyl)benzeneboronic acid

CAS: 313546-16-6 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.954 MDL Number: MFCD03095346 InChI Key: ZBCRZEJNAADYKG-UHFFFAOYSA-N Synonym: 4-methoxy-2-trifluoromethyl phenylboronic acid,4-methoxy-2-trifluoromethyl benzeneboronic acid,4-methoxy-2-trifluoromethyl phenyl boronic acid,4-methoxy-2-trifluoromethyl-phenylboronic acid,4-methoxy-2,pubchem1868,acmc-1aefl,ablock ab-13-0076 PubChem CID: 12109460 IUPAC Name: [4-methoxy-2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O

PubChem CID 12109460
CAS 313546-16-6
Molecular Weight (g/mol) 219.954
MDL Number MFCD03095346
SMILES B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O
Synonym 4-methoxy-2-trifluoromethyl phenylboronic acid,4-methoxy-2-trifluoromethyl benzeneboronic acid,4-methoxy-2-trifluoromethyl phenyl boronic acid,4-methoxy-2-trifluoromethyl-phenylboronic acid,4-methoxy-2,pubchem1868,acmc-1aefl,ablock ab-13-0076
IUPAC Name [4-methoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI Key ZBCRZEJNAADYKG-UHFFFAOYSA-N
Molecular Formula C8H8BF3O3
10

2-Nitro-4-(trifluoromethyl)phenol, 98%

CAS: 400-99-7 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00009791 InChI Key: XZEDEVRSUANQEM-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl phenol,4-hydroxy-3-nitrobenzotrifluoride,phenol, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethylphenol,2-nitro-alpha,alpha,alpha-trifluoro-p-cresol,4-hydroxy-3-nitrobenzotrifluoroide,p-cresol, 2-nitro-alpha,alpha,alpha-trifluoro,2-nitro-4-trifluoromethyl-phenol,pubchem4150,4-06-00-02150 beilstein handbook reference PubChem CID: 9816 IUPAC Name: 2-nitro-4-(trifluoromethyl)phenol SMILES: OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

PubChem CID 9816
CAS 400-99-7
Molecular Weight (g/mol) 207.11
MDL Number MFCD00009791
SMILES OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F
Synonym 2-nitro-4-trifluoromethyl phenol,4-hydroxy-3-nitrobenzotrifluoride,phenol, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethylphenol,2-nitro-alpha,alpha,alpha-trifluoro-p-cresol,4-hydroxy-3-nitrobenzotrifluoroide,p-cresol, 2-nitro-alpha,alpha,alpha-trifluoro,2-nitro-4-trifluoromethyl-phenol,pubchem4150,4-06-00-02150 beilstein handbook reference
IUPAC Name 2-nitro-4-(trifluoromethyl)phenol
InChI Key XZEDEVRSUANQEM-UHFFFAOYSA-N
Molecular Formula C7H4F3NO3
11

4-Trifluoromethyl-o-phenylenediamine, 98%

CAS: 368-71-8 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00042456 InChI Key: RQWJHUJJBYMJMN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride PubChem CID: 520822 IUPAC Name: 4-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=CC(=C(C=C1C(F)(F)F)N)N

PubChem CID 520822
CAS 368-71-8
Molecular Weight (g/mol) 176.142
MDL Number MFCD00042456
SMILES C1=CC(=C(C=C1C(F)(F)F)N)N
Synonym 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride
IUPAC Name 4-(trifluoromethyl)benzene-1,2-diamine
InChI Key RQWJHUJJBYMJMN-UHFFFAOYSA-N
Molecular Formula C7H7F3N2
12

3,5-Bis(trifluoromethyl)benzhydrazide, 97%

CAS: 26107-82-4 Molecular Formula: C9H6F6N2O Molecular Weight (g/mol): 272.15 MDL Number: MFCD00051848 InChI Key: GBBRFBSFWKFTMZ-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzhydrazide,3,5-bis trifluoromethyl benzohydrazide,3,5-di trifluoromethyl benzhydrazide,3,5-bis-trifluoromethylbenzoic acid hydrazide,3,5-bis trifluoromethyl benzoic acid hydrazide,benzoic acid, 3,5-bis trifluoromethyl-, hydrazide,3,5-bis-trifluoromethyl-benzhydrazide,maybridge1_001057,acmc-1cp6z,ksc206c6d PubChem CID: 100265 IUPAC Name: 3,5-bis(trifluoromethyl)benzohydrazide SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN

PubChem CID 100265
CAS 26107-82-4
Molecular Weight (g/mol) 272.15
MDL Number MFCD00051848
SMILES C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN
Synonym 3,5-bis trifluoromethyl benzhydrazide,3,5-bis trifluoromethyl benzohydrazide,3,5-di trifluoromethyl benzhydrazide,3,5-bis-trifluoromethylbenzoic acid hydrazide,3,5-bis trifluoromethyl benzoic acid hydrazide,benzoic acid, 3,5-bis trifluoromethyl-, hydrazide,3,5-bis-trifluoromethyl-benzhydrazide,maybridge1_001057,acmc-1cp6z,ksc206c6d
IUPAC Name 3,5-bis(trifluoromethyl)benzohydrazide
InChI Key GBBRFBSFWKFTMZ-UHFFFAOYSA-N
Molecular Formula C9H6F6N2O
13

3-(Trifluoromethyl)phenyltrimethylammonium hydroxide, 5% w/v in methanol

CAS: 68254-41-1 Molecular Formula: C10H14F3NO Molecular Weight (g/mol): 221.223 MDL Number: MFCD00059473 InChI Key: BFPOZPZYPNVMHU-UHFFFAOYSA-M Synonym: 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide PubChem CID: 2760772 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]

PubChem CID 2760772
CAS 68254-41-1
Molecular Weight (g/mol) 221.223
MDL Number MFCD00059473
SMILES C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]
Synonym 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide
IUPAC Name trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide
InChI Key BFPOZPZYPNVMHU-UHFFFAOYSA-M
Molecular Formula C10H14F3NO
14

2-Bromo-5-(trifluoromethyl)benzaldehyde, 97%

CAS: 102684-91-3 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.02 MDL Number: MFCD04973760 InChI Key: CSOBJYGHQOLWOD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl benzaldehyde,4-bromo-3-formylbenzotrifluoride,2-bromo-5-1,1-dimethylethyl-benzaldehyde,benzaldehyde, 2-bromo-5-1,1-dimethylethyl,benzaldehyde, 2-bromo-5-trifluoromethyl,paragos 530289,pubchem1428,pubchem4179,ksc498c1d,bromo 5-trifluoromethyl benzaldehyde PubChem CID: 7018047 IUPAC Name: 2-bromo-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(C=O)=C(Br)C=C1

PubChem CID 7018047
CAS 102684-91-3
Molecular Weight (g/mol) 253.02
MDL Number MFCD04973760
SMILES FC(F)(F)C1=CC(C=O)=C(Br)C=C1
Synonym 2-bromo-5-trifluoromethyl benzaldehyde,4-bromo-3-formylbenzotrifluoride,2-bromo-5-1,1-dimethylethyl-benzaldehyde,benzaldehyde, 2-bromo-5-1,1-dimethylethyl,benzaldehyde, 2-bromo-5-trifluoromethyl,paragos 530289,pubchem1428,pubchem4179,ksc498c1d,bromo 5-trifluoromethyl benzaldehyde
IUPAC Name 2-bromo-5-(trifluoromethyl)benzaldehyde
InChI Key CSOBJYGHQOLWOD-UHFFFAOYSA-N
Molecular Formula C8H4BrF3O
15

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97%

CAS: 503309-11-3 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.919 MDL Number: MFCD03094995 InChI Key: SSFSVKVWAURAAM-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride PubChem CID: 16414145 IUPAC Name: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O

PubChem CID 16414145
CAS 503309-11-3
Molecular Weight (g/mol) 207.919
MDL Number MFCD03094995
SMILES B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
Synonym 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride
IUPAC Name [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
InChI Key SSFSVKVWAURAAM-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2