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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (967)
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1

Thermo Scientific Chemicals Flufenamic acid, 97%

CAS: 530-78-9 Formule moléculaire: C14H10F3NO2 Poids moléculaire (g/mol): 281.22 Numéro MDL: MFCD00002422 Clé InChI: LPEPZBJOKDYZAD-UHFFFAOYSA-N Synonyme: flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene CID PubChem: 3371 ChEBI: CHEBI:42638 Nom IUPAC: 2-[3-(trifluoromethyl)anilino]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F

Poids moléculaire (g/mol) 281.22
Synonyme flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene
Numéro MDL MFCD00002422
CAS 530-78-9
CID PubChem 3371
ChEBI CHEBI:42638
Nom IUPAC 2-[3-(trifluoromethyl)anilino]benzoic acid
Clé InChI LPEPZBJOKDYZAD-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
Formule moléculaire C14H10F3NO2
2

4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Formule moléculaire: C9H10O3 Poids moléculaire (g/mol): 166.18 Numéro MDL: MFCD00004345 Clé InChI: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonyme: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid CID PubChem: 7690 ChEBI: CHEBI:55501 Nom IUPAC: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

Poids moléculaire (g/mol) 166.18
Synonyme 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
Numéro MDL MFCD00004345
CAS 104-01-8
CID PubChem 7690
ChEBI CHEBI:55501
Nom IUPAC 2-(4-methoxyphenyl)acetic acid
Clé InChI NRPFNQUDKRYCNX-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)CC(=O)O
Formule moléculaire C9H10O3
3

4-Amino-3-methoxybenzoic acid, 98%

CAS: 2486-69-3 Formule moléculaire: C8H9NO3 Poids moléculaire (g/mol): 167.16 Numéro MDL: MFCD00016539 Clé InChI: JNFGLYJROFAOQP-UHFFFAOYSA-N Synonyme: 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid CID PubChem: 288057 Nom IUPAC: 4-amino-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)N

Poids moléculaire (g/mol) 167.16
Synonyme 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid
Numéro MDL MFCD00016539
CAS 2486-69-3
CID PubChem 288057
Nom IUPAC 4-amino-3-methoxybenzoic acid
Clé InChI JNFGLYJROFAOQP-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)C(=O)O)N
Formule moléculaire C8H9NO3
4

Diatrizoic acid

CAS: 117-96-4 Formule moléculaire: C11H9I3N2O4 Poids moléculaire (g/mol): 613.92 Numéro MDL: MFCD00069960 Clé InChI: YVPYQUNUQOZFHG-UHFFFAOYSA-N Synonyme: diatrizoic acid,amidotrizoic acid,diatrizoate,amidotrizoate,urogranoic acid,urografin acid,odiston,urotrast,diat,diatriazoate CID PubChem: 2140 ChEBI: CHEBI:53691 Nom IUPAC: 3,5-diacetamido-2,4,6-triiodobenzoic acid SMILES: CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I

Poids moléculaire (g/mol) 613.92
Synonyme diatrizoic acid,amidotrizoic acid,diatrizoate,amidotrizoate,urogranoic acid,urografin acid,odiston,urotrast,diat,diatriazoate
Numéro MDL MFCD00069960
CAS 117-96-4
CID PubChem 2140
ChEBI CHEBI:53691
Nom IUPAC 3,5-diacetamido-2,4,6-triiodobenzoic acid
Clé InChI YVPYQUNUQOZFHG-UHFFFAOYSA-N
SMILES CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Formule moléculaire C11H9I3N2O4
5

Thermo Scientific Chemicals Rosolic acid

CAS: 603-45-2 Formule moléculaire: C19H14O3 Poids moléculaire (g/mol): 290.32 Numéro MDL: MFCD00001624 Clé InChI: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonyme: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone CID PubChem: 5100 ChEBI: CHEBI:34544 Nom IUPAC: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

Poids moléculaire (g/mol) 290.32
Synonyme aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
Numéro MDL MFCD00001624
CAS 603-45-2
CID PubChem 5100
ChEBI CHEBI:34544
Nom IUPAC 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Clé InChI FYEHYMARPSSOBO-UHFFFAOYSA-N
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Formule moléculaire C19H14O3
6

Rosolic acid

CAS: 603-45-2 Formule moléculaire: C19H14O3 Poids moléculaire (g/mol): 290.32 Numéro MDL: MFCD00001624 Clé InChI: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonyme: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone CID PubChem: 5100 ChEBI: CHEBI:34544 Nom IUPAC: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

Poids moléculaire (g/mol) 290.32
Synonyme aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
Numéro MDL MFCD00001624
CAS 603-45-2
CID PubChem 5100
ChEBI CHEBI:34544
Nom IUPAC 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Clé InChI FYEHYMARPSSOBO-UHFFFAOYSA-N
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Formule moléculaire C19H14O3
7

Aurintricarboxylic acid

CAS: 4431-00-9 Formule moléculaire: C22H14O9 Poids moléculaire (g/mol): 422.345 Numéro MDL: MFCD00011663 Clé InChI: GIXWDMTZECRIJT-UHFFFAOYSA-N Synonyme: aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid CID PubChem: 2259 ChEBI: CHEBI:87397 Nom IUPAC: 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O

Poids moléculaire (g/mol) 422.345
Synonyme aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid
Numéro MDL MFCD00011663
CAS 4431-00-9
CID PubChem 2259
ChEBI CHEBI:87397
Nom IUPAC 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
Clé InChI GIXWDMTZECRIJT-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O
Formule moléculaire C22H14O9
8

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Formule moléculaire: C8H5NO6 Poids moléculaire (g/mol): 211.13 Numéro MDL: MFCD00007141 Clé InChI: QUMITRDILMWWBC-UHFFFAOYSA-N Synonyme: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u CID PubChem: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 211.13
Synonyme nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
Numéro MDL MFCD00007141
CAS 610-29-7
CID PubChem 69122
Clé InChI QUMITRDILMWWBC-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Formule moléculaire C8H5NO6
9

Phenoxyacetic acid, 98+%

CAS: 122-59-8 Formule moléculaire: C8H8O3 Poids moléculaire (g/mol): 152.15 Numéro MDL: MFCD00004296 Clé InChI: LCPDWSOZIOUXRV-UHFFFAOYSA-N Synonyme: phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique CID PubChem: 19188 ChEBI: CHEBI:8075 Nom IUPAC: 2-phenoxyacetic acid SMILES: OC(=O)COC1=CC=CC=C1

Poids moléculaire (g/mol) 152.15
Synonyme phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique
Numéro MDL MFCD00004296
CAS 122-59-8
CID PubChem 19188
ChEBI CHEBI:8075
Nom IUPAC 2-phenoxyacetic acid
Clé InChI LCPDWSOZIOUXRV-UHFFFAOYSA-N
SMILES OC(=O)COC1=CC=CC=C1
Formule moléculaire C8H8O3
10

Terephthalic acid, 99+%

CAS: 100-21-0 Formule moléculaire: C8H6O4 Poids moléculaire (g/mol): 166.13 Numéro MDL: MFCD00002558 Clé InChI: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonyme: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene CID PubChem: 7489 ChEBI: CHEBI:15702 Nom IUPAC: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Poids moléculaire (g/mol) 166.13
Synonyme p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
Numéro MDL MFCD00002558
CAS 100-21-0
CID PubChem 7489
ChEBI CHEBI:15702
Nom IUPAC terephthalic acid
Clé InChI KKEYFWRCBNTPAC-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)O)C(=O)O
Formule moléculaire C8H6O4
11

Pentafluorobenzoic acid, 98+%

CAS: 602-94-8 Formule moléculaire: C7HF5O2 Poids moléculaire (g/mol): 212.08 Numéro MDL: MFCD00002406 Clé InChI: YZERDTREOUSUHF-UHFFFAOYSA-N Synonyme: pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 CID PubChem: 11770 ChEBI: CHEBI:46796 Nom IUPAC: 2,3,4,5,6-pentafluorobenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

Poids moléculaire (g/mol) 212.08
Synonyme pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017
Numéro MDL MFCD00002406
CAS 602-94-8
CID PubChem 11770
ChEBI CHEBI:46796
Nom IUPAC 2,3,4,5,6-pentafluorobenzoic acid
Clé InChI YZERDTREOUSUHF-UHFFFAOYSA-N
SMILES OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Formule moléculaire C7HF5O2
12

Salicylhydroxamic acid, 99%

CAS: 89-73-6 Formule moléculaire: C7H7NO3 Poids moléculaire (g/mol): 153.137 Numéro MDL: MFCD00002110 Clé InChI: HBROZNQEVUILML-UHFFFAOYSA-N Synonyme: salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide CID PubChem: 66644 ChEBI: CHEBI:45615 Nom IUPAC: N,2-dihydroxybenzamide SMILES: C1=CC=C(C(=C1)C(=O)NO)O

Poids moléculaire (g/mol) 153.137
Synonyme salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide
Numéro MDL MFCD00002110
CAS 89-73-6
CID PubChem 66644
ChEBI CHEBI:45615
Nom IUPAC N,2-dihydroxybenzamide
Clé InChI HBROZNQEVUILML-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)NO)O
Formule moléculaire C7H7NO3
13

Terephthalic acid, 98+%

CAS: 100-21-0 Formule moléculaire: C8H6O4 Poids moléculaire (g/mol): 166.132 Numéro MDL: MFCD00002558 Clé InChI: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonyme: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene CID PubChem: 7489 ChEBI: CHEBI:15702 Nom IUPAC: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Poids moléculaire (g/mol) 166.132
Synonyme p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
Numéro MDL MFCD00002558
CAS 100-21-0
CID PubChem 7489
ChEBI CHEBI:15702
Nom IUPAC terephthalic acid
Clé InChI KKEYFWRCBNTPAC-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)O)C(=O)O
Formule moléculaire C8H6O4
14

Phenoxyacetic acid, 98%

CAS: 122-59-8 Formule moléculaire: C8H8O3 Poids moléculaire (g/mol): 152.15 Numéro MDL: MFCD00004296 Clé InChI: LCPDWSOZIOUXRV-UHFFFAOYSA-N Synonyme: phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique CID PubChem: 19188 ChEBI: CHEBI:8075 Nom IUPAC: 2-phenoxyacetic acid SMILES: OC(=O)COC1=CC=CC=C1

Poids moléculaire (g/mol) 152.15
Synonyme phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique
Numéro MDL MFCD00004296
CAS 122-59-8
CID PubChem 19188
ChEBI CHEBI:8075
Nom IUPAC 2-phenoxyacetic acid
Clé InChI LCPDWSOZIOUXRV-UHFFFAOYSA-N
SMILES OC(=O)COC1=CC=CC=C1
Formule moléculaire C8H8O3
15

Mefenamic acid, 98%

CAS: 61-68-7 Formule moléculaire: C15H15NO2 Poids moléculaire (g/mol): 241.29 Numéro MDL: MFCD00051721 Clé InChI: HYYBABOKPJLUIN-UHFFFAOYSA-N Synonyme: mefenamic acid,ponstel,ponstan,2-2,3-dimethylphenyl amino benzoic acid,mephenamic acid,parkemed,coslan,mefacit,ponalar,methenamic acid CID PubChem: 4044 ChEBI: CHEBI:6717 Nom IUPAC: 2-(2,3-dimethylanilino)benzoic acid SMILES: CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C

Poids moléculaire (g/mol) 241.29
Synonyme mefenamic acid,ponstel,ponstan,2-2,3-dimethylphenyl amino benzoic acid,mephenamic acid,parkemed,coslan,mefacit,ponalar,methenamic acid
Numéro MDL MFCD00051721
CAS 61-68-7
CID PubChem 4044
ChEBI CHEBI:6717
Nom IUPAC 2-(2,3-dimethylanilino)benzoic acid
Clé InChI HYYBABOKPJLUIN-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C
Formule moléculaire C15H15NO2