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Benzoyl derivatives

Organic compounds that are derived from compounds that contain a benzoyl functional group, which has the following formula: C6H5CO-.
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p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™

CAS: 100-10-7 Formule moléculaire: C9H11NO Poids moléculaire (g/mol): 149.19 Numéro MDL: MFCD00003381 Clé InChI: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonyme: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal CID PubChem: 7479 Nom IUPAC: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

Poids moléculaire (g/mol) 149.19
Synonyme 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
Numéro MDL MFCD00003381
CAS 100-10-7
CID PubChem 7479
Nom IUPAC 4-(dimethylamino)benzaldehyde
Clé InChI BGNGWHSBYQYVRX-UHFFFAOYSA-N
SMILES CN(C)C1=CC=C(C=O)C=C1
Formule moléculaire C9H11NO
2

Benzyl benzoate, 99+%

CAS: 120-51-4 Formule moléculaire: C14H12O2 Poids moléculaire (g/mol): 212.25 Numéro MDL: MFCD00003075 Clé InChI: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonyme: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate CID PubChem: 2345 ChEBI: CHEBI:41237 Nom IUPAC: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1

Poids moléculaire (g/mol) 212.25
Synonyme ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate
Numéro MDL MFCD00003075
CAS 120-51-4
CID PubChem 2345
ChEBI CHEBI:41237
Nom IUPAC benzyl benzoate
Clé InChI SESFRYSPDFLNCH-UHFFFAOYSA-N
SMILES O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
Formule moléculaire C14H12O2
3

4-(2-Chloroethyl)benzoic acid, 97%

CAS: 20849-78-9 Formule moléculaire: C9H9ClO2 Poids moléculaire (g/mol): 184.62 Numéro MDL: MFCD00013995 Clé InChI: OOAPBGPLZAFZSO-UHFFFAOYSA-N CID PubChem: 88712 Nom IUPAC: 4-(2-chloroethyl)benzoic acid SMILES: OC(=O)C1=CC=C(CCCl)C=C1

Poids moléculaire (g/mol) 184.62
Numéro MDL MFCD00013995
CAS 20849-78-9
CID PubChem 88712
Nom IUPAC 4-(2-chloroethyl)benzoic acid
Clé InChI OOAPBGPLZAFZSO-UHFFFAOYSA-N
SMILES OC(=O)C1=CC=C(CCCl)C=C1
Formule moléculaire C9H9ClO2
4

4-Cyclohexylbenzoic acid, 98%

CAS: 20029-52-1 Formule moléculaire: C13H16O2 Poids moléculaire (g/mol): 204.269 Numéro MDL: MFCD00039459 Clé InChI: QCIWHVKGVVQHIY-UHFFFAOYSA-N Synonyme: 4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane CID PubChem: 88337 Nom IUPAC: 4-cyclohexylbenzoic acid SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)O

Poids moléculaire (g/mol) 204.269
Synonyme 4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane
Numéro MDL MFCD00039459
CAS 20029-52-1
CID PubChem 88337
Nom IUPAC 4-cyclohexylbenzoic acid
Clé InChI QCIWHVKGVVQHIY-UHFFFAOYSA-N
SMILES C1CCC(CC1)C2=CC=C(C=C2)C(=O)O
Formule moléculaire C13H16O2
5

n-Hexyl benzoate, 98+%

CAS: 6789-88-4 Formule moléculaire: C13H18O2 Poids moléculaire (g/mol): 206.285 Numéro MDL: MFCD00051714 Clé InChI: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonyme: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 CID PubChem: 23235 Nom IUPAC: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1

Poids moléculaire (g/mol) 206.285
Synonyme benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691
Numéro MDL MFCD00051714
CAS 6789-88-4
CID PubChem 23235
Nom IUPAC hexyl benzoate
Clé InChI UUGLJVMIFJNVFH-UHFFFAOYSA-N
SMILES CCCCCCOC(=O)C1=CC=CC=C1
Formule moléculaire C13H18O2
6

Benzoyl isothiocyanate, 98%

CAS: 532-55-8 Formule moléculaire: C8H5NOS Poids moléculaire (g/mol): 163.194 Numéro MDL: MFCD00004815 Clé InChI: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonyme: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone CID PubChem: 68284 Nom IUPAC: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

Poids moléculaire (g/mol) 163.194
Synonyme benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
Numéro MDL MFCD00004815
CAS 532-55-8
CID PubChem 68284
Nom IUPAC benzoyl isothiocyanate
Clé InChI CPEKAXYCDKETEN-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C(=O)N=C=S
Formule moléculaire C8H5NOS
7

tert-Butyl hydrogen phthalate, 97%

CAS: 33693-84-4 Formule moléculaire: C12H14O4 Poids moléculaire (g/mol): 222.24 Numéro MDL: MFCD00043711 Clé InChI: PBUQZKXKYSAJDO-UHFFFAOYSA-N Synonyme: tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150 CID PubChem: 134976 Nom IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O

Poids moléculaire (g/mol) 222.24
Synonyme tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150
Numéro MDL MFCD00043711
CAS 33693-84-4
CID PubChem 134976
Nom IUPAC 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
Clé InChI PBUQZKXKYSAJDO-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O
Formule moléculaire C12H14O4
8

4-(2-Thienyl)benzoic acid, 96%

CAS: 29886-62-2 Formule moléculaire: C11H8O2S Poids moléculaire (g/mol): 204.243 Numéro MDL: MFCD00690742 Clé InChI: CVDUBQJEQNRCIZ-UHFFFAOYSA-N Synonyme: 4-thiophen-2-yl benzoic acid,4-2-thienyl benzoic acid,4-thiophen-2-yl-benzoic acid,benzoic acid,4-2-thienyl,benzoic acid, 4-2-thienyl,pubchem12353,acmc-1cb4z,4-2-thienyl benzoicacid,4-thien-2-ylbenzoic acid,amtda058 CID PubChem: 736498 Nom IUPAC: 4-thiophen-2-ylbenzoic acid SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C(=O)O

Poids moléculaire (g/mol) 204.243
Synonyme 4-thiophen-2-yl benzoic acid,4-2-thienyl benzoic acid,4-thiophen-2-yl-benzoic acid,benzoic acid,4-2-thienyl,benzoic acid, 4-2-thienyl,pubchem12353,acmc-1cb4z,4-2-thienyl benzoicacid,4-thien-2-ylbenzoic acid,amtda058
Numéro MDL MFCD00690742
CAS 29886-62-2
CID PubChem 736498
Nom IUPAC 4-thiophen-2-ylbenzoic acid
Clé InChI CVDUBQJEQNRCIZ-UHFFFAOYSA-N
SMILES C1=CSC(=C1)C2=CC=C(C=C2)C(=O)O
Formule moléculaire C11H8O2S
9

4-Methylbenzoic anhydride, 97%

CAS: 13222-85-0 Formule moléculaire: C16H14O3 Poids moléculaire (g/mol): 254.285 Numéro MDL: MFCD00048100 Clé InChI: BJMLLSSSTGHJJE-UHFFFAOYSA-N Synonyme: 4-methylbenzoic anhydride,4-methylphenyl anhydride,4-methylbenzoic acid anhydride,p-toluic anhydride,4-methylbenzene-1-carboxylic anhydride,4-methylbenzoyl 4-methylbenzoate,bis 4-methylbenzoic anhydride,p-toluylsaureanhydrid,para-toluic anhydride,4-methylbenzoicanhydride CID PubChem: 139413 Nom IUPAC: (4-methylbenzoyl) 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)C

Poids moléculaire (g/mol) 254.285
Synonyme 4-methylbenzoic anhydride,4-methylphenyl anhydride,4-methylbenzoic acid anhydride,p-toluic anhydride,4-methylbenzene-1-carboxylic anhydride,4-methylbenzoyl 4-methylbenzoate,bis 4-methylbenzoic anhydride,p-toluylsaureanhydrid,para-toluic anhydride,4-methylbenzoicanhydride
Numéro MDL MFCD00048100
CAS 13222-85-0
CID PubChem 139413
Nom IUPAC (4-methylbenzoyl) 4-methylbenzoate
Clé InChI BJMLLSSSTGHJJE-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)C
Formule moléculaire C16H14O3
10

3-Methylbenzoic anhydride, 97%

CAS: 21436-44-2 Formule moléculaire: C16H14O3 Poids moléculaire (g/mol): 254.285 Numéro MDL: MFCD00048083 Clé InChI: DGZSQLHPEZFGSI-UHFFFAOYSA-N Synonyme: 3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride CID PubChem: 253301 Nom IUPAC: (3-methylbenzoyl) 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C

Poids moléculaire (g/mol) 254.285
Synonyme 3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride
Numéro MDL MFCD00048083
CAS 21436-44-2
CID PubChem 253301
Nom IUPAC (3-methylbenzoyl) 3-methylbenzoate
Clé InChI DGZSQLHPEZFGSI-UHFFFAOYSA-N
SMILES CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C
Formule moléculaire C16H14O3
11

4'-Methylbiphenyl-4-carboxylic acid, 96%

CAS: 720-73-0 Formule moléculaire: C14H12O2 Poids moléculaire (g/mol): 212.248 Numéro MDL: MFCD00448778 Clé InChI: RZOCCLOTCXINRG-UHFFFAOYSA-N Synonyme: 4'-methylbiphenyl-4-carboxylic acid,4-4-methylphenyl benzoic acid,4'-methyl-1,1'-biphenyl-4-carboxylic acid,4'-methyl 1,1'-biphenyl-4-carboxylic acid,4'-methyl-4-biphenylcarboxylic acid,4'-methyl-biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylicacid, 4'-methyl,1,1'-biphenyl-4-carboxylic acid, 4'-methyl CID PubChem: 2063421 Nom IUPAC: 4-(4-methylphenyl)benzoic acid SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Poids moléculaire (g/mol) 212.248
Synonyme 4'-methylbiphenyl-4-carboxylic acid,4-4-methylphenyl benzoic acid,4'-methyl-1,1'-biphenyl-4-carboxylic acid,4'-methyl 1,1'-biphenyl-4-carboxylic acid,4'-methyl-4-biphenylcarboxylic acid,4'-methyl-biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylicacid, 4'-methyl,1,1'-biphenyl-4-carboxylic acid, 4'-methyl
Numéro MDL MFCD00448778
CAS 720-73-0
CID PubChem 2063421
Nom IUPAC 4-(4-methylphenyl)benzoic acid
Clé InChI RZOCCLOTCXINRG-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
Formule moléculaire C14H12O2
12

2-Cyanobenzoic acid, 94%

CAS: 3839-22-3 Formule moléculaire: C8H5NO2 Poids moléculaire (g/mol): 147.133 Numéro MDL: MFCD00045796 Clé InChI: DTNSDCJFTHMDAK-UHFFFAOYSA-N Synonyme: o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v CID PubChem: 138061 Nom IUPAC: 2-cyanobenzoic acid SMILES: C1=CC=C(C(=C1)C#N)C(=O)O

Poids moléculaire (g/mol) 147.133
Synonyme o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v
Numéro MDL MFCD00045796
CAS 3839-22-3
CID PubChem 138061
Nom IUPAC 2-cyanobenzoic acid
Clé InChI DTNSDCJFTHMDAK-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C#N)C(=O)O
Formule moléculaire C8H5NO2
13

2-Bromo-6-fluorobenzaldehyde, 98%

CAS: 360575-28-6 Formule moléculaire: C7H4BrFO Poids moléculaire (g/mol): 203.01 Numéro MDL: MFCD03407341 Clé InChI: PJNILWKRAKKEQM-UHFFFAOYSA-N Synonyme: 6-bromo-2-fluorobenzaldehyde,2-bromo-6-fluorobenzenecarbaldehyde,2-bromo-6-fluoro-benzaldehyde,2-fluoro-6-bromobenzaldehyde,6-fluoro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-6-fluoro,pubchem1419,acmc-1afpf,ksc497k8t CID PubChem: 22473977 Nom IUPAC: 2-bromo-6-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Br)C=O)F

Poids moléculaire (g/mol) 203.01
Synonyme 6-bromo-2-fluorobenzaldehyde,2-bromo-6-fluorobenzenecarbaldehyde,2-bromo-6-fluoro-benzaldehyde,2-fluoro-6-bromobenzaldehyde,6-fluoro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-6-fluoro,pubchem1419,acmc-1afpf,ksc497k8t
Numéro MDL MFCD03407341
CAS 360575-28-6
CID PubChem 22473977
Nom IUPAC 2-bromo-6-fluorobenzaldehyde
Clé InChI PJNILWKRAKKEQM-UHFFFAOYSA-N
SMILES C1=CC(=C(C(=C1)Br)C=O)F
Formule moléculaire C7H4BrFO
14

2,6-Dimethylbenzaldehyde, 97%

CAS: 1123-56-4 Formule moléculaire: C9H10O Poids moléculaire (g/mol): 134.178 Numéro MDL: MFCD00128003 Clé InChI: QOJQBWSZHCKOLL-UHFFFAOYSA-N Synonyme: m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde CID PubChem: 583841 Nom IUPAC: 2,6-dimethylbenzaldehyde SMILES: CC1=C(C(=CC=C1)C)C=O

Poids moléculaire (g/mol) 134.178
Synonyme m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde
Numéro MDL MFCD00128003
CAS 1123-56-4
CID PubChem 583841
Nom IUPAC 2,6-dimethylbenzaldehyde
Clé InChI QOJQBWSZHCKOLL-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)C)C=O
Formule moléculaire C9H10O
15

2-Bromo-4,5-difluorobenzaldehyde, 98%

CAS: 476620-54-9 Formule moléculaire: C7H3BrF2O Poids moléculaire (g/mol): 221.001 Numéro MDL: MFCD16659662 Clé InChI: ZHSZEWFWVDLMDL-UHFFFAOYSA-N Synonyme: benzaldehyde, 2-bromo-4,5-difluoro,acmc-209ka1,2-bromo-4,5-difluoro-benzaldehyde CID PubChem: 21867425 Nom IUPAC: 2-bromo-4,5-difluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)F)Br)C=O

Poids moléculaire (g/mol) 221.001
Synonyme benzaldehyde, 2-bromo-4,5-difluoro,acmc-209ka1,2-bromo-4,5-difluoro-benzaldehyde
Numéro MDL MFCD16659662
CAS 476620-54-9
CID PubChem 21867425
Nom IUPAC 2-bromo-4,5-difluorobenzaldehyde
Clé InChI ZHSZEWFWVDLMDL-UHFFFAOYSA-N
SMILES C1=C(C(=CC(=C1F)F)Br)C=O
Formule moléculaire C7H3BrF2O