
Benzenoids





















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Thermo Scientific Chemicals p-Terphenyl, 99+%, pure
CAS: 92-94-4 Molecular Formula: C18H14 Molecular Weight (g/mol): 230.31 MDL Number: MFCD00003061 InChI Key: XJKSTNDFUHDPQJ-UHFFFAOYSA-N Synonym: p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin PubChem CID: 7115 ChEBI: CHEBI:52242 IUPAC Name: 1,4-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

PubChem CID | 7115 |
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CAS | 92-94-4 |
Molecular Weight (g/mol) | 230.31 |
ChEBI | CHEBI:52242 |
MDL Number | MFCD00003061 |
SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3 |
Synonym | p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin |
IUPAC Name | 1,4-diphenylbenzene |
InChI Key | XJKSTNDFUHDPQJ-UHFFFAOYSA-N |
Molecular Formula | C18H14 |
alpha-Tetralone, 98%
CAS: 529-34-0 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00001688 InChI Key: XHLHPRDBBAGVEG-UHFFFAOYSA-N Synonym: alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone PubChem CID: 10724 IUPAC Name: 3,4-dihydro-2H-naphthalen-1-one SMILES: O=C1CCCC2=CC=CC=C12

PubChem CID | 10724 |
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CAS | 529-34-0 |
Molecular Weight (g/mol) | 146.19 |
MDL Number | MFCD00001688 |
SMILES | O=C1CCCC2=CC=CC=C12 |
Synonym | alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone |
IUPAC Name | 3,4-dihydro-2H-naphthalen-1-one |
InChI Key | XHLHPRDBBAGVEG-UHFFFAOYSA-N |
Molecular Formula | C10H10O |
3,5-Diaminobenzoic acid, 98%
CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

PubChem CID | 12062 |
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CAS | 535-87-5 |
Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD00007807 |
SMILES | C1=C(C=C(C=C1N)N)C(=O)O |
Synonym | benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid |
IUPAC Name | 3,5-diaminobenzoic acid |
InChI Key | UENRXLSRMCSUSN-UHFFFAOYSA-N |
Molecular Formula | C7H8N2O2 |
alpha,alpha'-Dibromo-o-xylene, 96%
CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

PubChem CID | 66665 |
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CAS | 91-13-4 |
Molecular Weight (g/mol) | 263.95 |
MDL Number | MFCD00000175 |
SMILES | C1=CC=C(C(=C1)CBr)CBr |
Synonym | 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 |
IUPAC Name | 1,2-bis(bromomethyl)benzene |
InChI Key | KGKAYWMGPDWLQZ-UHFFFAOYSA-N |
Molecular Formula | C8H8Br2 |
3,4-Dichlorobenzylamine, 98%
CAS: 102-49-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.05 MDL Number: MFCD00008114 InChI Key: IXHNFOOSLAWRBQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine PubChem CID: 1608 IUPAC Name: (3,4-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)Cl)Cl

PubChem CID | 1608 |
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CAS | 102-49-8 |
Molecular Weight (g/mol) | 176.05 |
MDL Number | MFCD00008114 |
SMILES | C1=CC(=C(C=C1CN)Cl)Cl |
Synonym | 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine |
IUPAC Name | (3,4-dichlorophenyl)methanamine |
InChI Key | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
Molecular Formula | C7H7Cl2N |
2,4-Dichlorobenzylamine, 98%
CAS: 95-00-1 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008109 InChI Key: SJUKJZSTBBSGHF-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur PubChem CID: 1485 IUPAC Name: (2,4-dichlorophenyl)methanamine SMILES: NCC1=CC=C(Cl)C=C1Cl

PubChem CID | 1485 |
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CAS | 95-00-1 |
Molecular Weight (g/mol) | 176.04 |
MDL Number | MFCD00008109 |
SMILES | NCC1=CC=C(Cl)C=C1Cl |
Synonym | 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur |
IUPAC Name | (2,4-dichlorophenyl)methanamine |
InChI Key | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
Molecular Formula | C7H7Cl2N |
1,5-Dihydroxynaphthalene, 97%
CAS: 83-56-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 InChI Key: BOKGTLAJQHTOKE-UHFFFAOYSA-N Synonym: 1,5-dihydroxynaphthalene,1,5-naphthalenediol,1,5-dihydroxy naphthalene,oxidation base,durafur developer e,1,5-dihydroxynapthalene,unii-p25hc23vh6,1,5-dihydroxynaphtalene,1.5-naphthalenediol,pubchem22990 PubChem CID: 6749 IUPAC Name: naphthalene-1,5-diol SMILES: C1=CC2=C(C=CC=C2O)C(=C1)O

PubChem CID | 6749 |
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CAS | 83-56-7 |
Molecular Weight (g/mol) | 160.17 |
SMILES | C1=CC2=C(C=CC=C2O)C(=C1)O |
Synonym | 1,5-dihydroxynaphthalene,1,5-naphthalenediol,1,5-dihydroxy naphthalene,oxidation base,durafur developer e,1,5-dihydroxynapthalene,unii-p25hc23vh6,1,5-dihydroxynaphtalene,1.5-naphthalenediol,pubchem22990 |
IUPAC Name | naphthalene-1,5-diol |
InChI Key | BOKGTLAJQHTOKE-UHFFFAOYSA-N |
Molecular Formula | C10H8O2 |
4-Dimethylaminobenzoic acid, 98%
CAS: 619-84-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O

PubChem CID | 12092 |
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CAS | 619-84-1 |
Molecular Weight (g/mol) | 165.19 |
MDL Number | MFCD00002537 |
SMILES | CN(C)C1=CC=C(C=C1)C(=O)O |
Synonym | 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid |
IUPAC Name | 4-(dimethylamino)benzoic acid |
InChI Key | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
Molecular Formula | C9H11NO2 |
Diphenylmethane, 99%
CAS: 101-81-5 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00004781 InChI Key: CZZYITDELCSZES-UHFFFAOYSA-N Synonym: diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene PubChem CID: 7580 ChEBI: CHEBI:38884 IUPAC Name: benzylbenzene SMILES: C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID | 7580 |
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CAS | 101-81-5 |
Molecular Weight (g/mol) | 168.24 |
ChEBI | CHEBI:38884 |
MDL Number | MFCD00004781 |
SMILES | C(C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene |
IUPAC Name | benzylbenzene |
InChI Key | CZZYITDELCSZES-UHFFFAOYSA-N |
Molecular Formula | C13H12 |
Ethyltriphenylphosphonium bromide, 98%
CAS: 1530-32-1 Molecular Formula: C20H20BrP Molecular Weight (g/mol): 371.26 MDL Number: MFCD00011838 InChI Key: JHYNXXDQQHTCHJ-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705 PubChem CID: 73727 IUPAC Name: ethyl(triphenyl)phosphanium;bromide SMILES: [Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID | 73727 |
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CAS | 1530-32-1 |
Molecular Weight (g/mol) | 371.26 |
MDL Number | MFCD00011838 |
SMILES | [Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705 |
IUPAC Name | ethyl(triphenyl)phosphanium;bromide |
InChI Key | JHYNXXDQQHTCHJ-UHFFFAOYSA-M |
Molecular Formula | C20H20BrP |
4-Fluorophenylacetic acid, 98%
CAS: 405-50-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F

PubChem CID | 9837 |
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CAS | 405-50-5 |
Molecular Weight (g/mol) | 154.14 |
MDL Number | MFCD00004343 |
SMILES | C1=CC(=CC=C1CC(=O)O)F |
Synonym | 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid |
IUPAC Name | 2-(4-fluorophenyl)acetic acid |
InChI Key | MGKPFALCNDRSQD-UHFFFAOYSA-N |
Molecular Formula | C8H7FO2 |
3-Hydroxybenzyl Alcohol, 97%
CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO

PubChem CID | 102 |
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CAS | 620-24-6 |
Molecular Weight (g/mol) | 124.14 |
ChEBI | CHEBI:17069 |
MDL Number | MFCD00004643 |
SMILES | C1=CC(=CC(=C1)O)CO |
Synonym | 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol |
IUPAC Name | 3-(hydroxymethyl)phenol |
InChI Key | OKVJCVWFVRATSG-UHFFFAOYSA-N |
Molecular Formula | C7H8O2 |
2-Hydroxyphenylacetic acid, 99%
CAS: 614-75-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004323 InChI Key: CCVYRRGZDBSHFU-UHFFFAOYSA-N Synonym: 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid PubChem CID: 11970 ChEBI: CHEBI:28478 IUPAC Name: 2-(2-hydroxyphenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)O

PubChem CID | 11970 |
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CAS | 614-75-5 |
Molecular Weight (g/mol) | 152.15 |
ChEBI | CHEBI:28478 |
MDL Number | MFCD00004323 |
SMILES | C1=CC=C(C(=C1)CC(=O)O)O |
Synonym | 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid |
IUPAC Name | 2-(2-hydroxyphenyl)acetic acid |
InChI Key | CCVYRRGZDBSHFU-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
4-Hydroxy-3-methoxybenzoic acid, 97+%
CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O

PubChem CID | 8468 |
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CAS | 121-34-6 |
Molecular Weight (g/mol) | 168.15 |
ChEBI | CHEBI:30816 |
MDL Number | MFCD00002551 |
SMILES | COC1=CC(=CC=C1O)C(O)=O |
Synonym | vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 |
IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
Molecular Formula | C8H8O4 |
alpha-Bromo-p-toluic acid, 97%
CAS: 6232-88-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002567 InChI Key: CQQSQBRPAJSTFB-UHFFFAOYSA-N Synonym: 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid PubChem CID: 22599 IUPAC Name: 4-(bromomethyl)benzoic acid SMILES: C1=CC(=CC=C1CBr)C(=O)O

PubChem CID | 22599 |
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CAS | 6232-88-8 |
Molecular Weight (g/mol) | 215.05 |
MDL Number | MFCD00002567 |
SMILES | C1=CC(=CC=C1CBr)C(=O)O |
Synonym | 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid |
IUPAC Name | 4-(bromomethyl)benzoic acid |
InChI Key | CQQSQBRPAJSTFB-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO2 |