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.

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3,151 – 3,165 of 64,662 results

3,151

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p-Acetotoluidide, 99%

CAS: 103-89-9 Molecular Formula: C₉H₁₁NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C

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Specifications

PubChem CID	7684
CAS	103-89-9
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00008677
SMILES	CC1=CC=C(C=C1)NC(=O)C
Synonym	4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide
IUPAC Name	N-(4-methylphenyl)acetamide
InChI Key	YICAMJWHIUMFDI-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁NO

3,152

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Cyclohexyltriphenylphosphonium bromide, 98+%

CAS: 7333-51-9 Molecular Formula: C24H26BrP Molecular Weight (g/mol): 425.35 MDL Number: MFCD00031667 InChI Key: QRAKRDZMIONMRZ-UHFFFAOYSA-M Synonym: cyclohexyltriphenylphosphonium bromide,cyclohexyl triphenylphosphonium bromide,cyclohexyltriphenylphosphanium bromide,cyclohexyl triphenyl phosphanium bromide,acmc-20alcd,cyclohexyltriphenylphosphoniumbromide,cyclohexyl triphenyl phosphonium bromide PubChem CID: 2724861 SMILES: [Br-].C1CCC(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724861
CAS	7333-51-9
Molecular Weight (g/mol)	425.35
MDL Number	MFCD00031667
SMILES	[Br-].C1CCC(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	cyclohexyltriphenylphosphonium bromide,cyclohexyl triphenylphosphonium bromide,cyclohexyltriphenylphosphanium bromide,cyclohexyl triphenyl phosphanium bromide,acmc-20alcd,cyclohexyltriphenylphosphoniumbromide,cyclohexyl triphenyl phosphonium bromide
InChI Key	QRAKRDZMIONMRZ-UHFFFAOYSA-M
Molecular Formula	C24H26BrP

3,153

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4-Bromo-2-nitrobenzoic acid, 97%

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

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Specifications

PubChem CID	3774467
CAS	99277-71-1
Molecular Weight (g/mol)	245.01
MDL Number	MFCD01013599
SMILES	[O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym	4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name	4-bromo-2-nitrobenzoate
InChI Key	ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula	C7H3BrNO4

3,154

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5-Amino-2-methylbenzenesulfonamide, 96%

CAS: 6973-09-7 MDL Number: MFCD06681071 ChEBI: CHEBI:29013

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Specifications

CAS	6973-09-7
ChEBI	CHEBI:29013
MDL Number	MFCD06681071

3,155

4-Hydroxybenzyl alcohol, 97%

CAS: 623-05-2 Molecular Formula: C₇H₈O₂ Molecular Weight (g/mol): 124.14 InChI Key: BVJSUAQZOZWCKN-UHFFFAOYSA-N Synonym: 4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol PubChem CID: 125 ChEBI: CHEBI:67410 IUPAC Name: 4-(hydroxymethyl)phenol SMILES: C1=CC(=CC=C1CO)O

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Specifications

PubChem CID	125
CAS	623-05-2
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:67410
SMILES	C1=CC(=CC=C1CO)O
Synonym	4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol
IUPAC Name	4-(hydroxymethyl)phenol
InChI Key	BVJSUAQZOZWCKN-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂

3,156

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2-Fluorobenzoic acid, 99%

CAS: 445-29-4 Molecular Formula: C₇H₅FO₂ Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F

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Specifications

PubChem CID	9935
CAS	445-29-4
Molecular Weight (g/mol)	140.11
ChEBI	CHEBI:19577
MDL Number	MFCD00002405
SMILES	C1=CC=C(C(=C1)C(=O)O)F
Synonym	o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid
IUPAC Name	2-fluorobenzoic acid
InChI Key	NSTREUWFTAOOKS-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO₂

3,157

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2,5-Dimethoxybenzyl alcohol, 99%

CAS: 33524-31-1 Molecular Formula: C₉H₁₂O₃ Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004615 InChI Key: WGQMUABRZGUAOS-UHFFFAOYSA-N Synonym: 2,5-dimethoxybenzyl alcohol,2,5-dimethoxyphenyl methanol,benzenemethanol, 2,5-dimethoxy,acmc-1ckmt,2,5-dimethoxybenzylalcohol,2,5-dimethoxylbenzylalcohol,benzenemethanol,2,5-dimethoxy,2,5-dimethoxyphenyl-methanol,wgqmuabrzguaos-uhfffaoysa,2,5-dimethoxyphenyl methanol # PubChem CID: 118495 IUPAC Name: (2,5-dimethoxyphenyl)methanol SMILES: COC1=CC(=C(C=C1)OC)CO

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Specifications

PubChem CID	118495
CAS	33524-31-1
Molecular Weight (g/mol)	168.19
MDL Number	MFCD00004615
SMILES	COC1=CC(=C(C=C1)OC)CO
Synonym	2,5-dimethoxybenzyl alcohol,2,5-dimethoxyphenyl methanol,benzenemethanol, 2,5-dimethoxy,acmc-1ckmt,2,5-dimethoxybenzylalcohol,2,5-dimethoxylbenzylalcohol,benzenemethanol,2,5-dimethoxy,2,5-dimethoxyphenyl-methanol,wgqmuabrzguaos-uhfffaoysa,2,5-dimethoxyphenyl methanol #
IUPAC Name	(2,5-dimethoxyphenyl)methanol
InChI Key	WGQMUABRZGUAOS-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂O₃

3,158

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2-Fluoro-5-iodobenzoic acid, 97%

CAS: 124700-41-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD03094517 InChI Key: QNNJHBNTHVHALE-UHFFFAOYSA-N Synonym: benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid PubChem CID: 2778925 IUPAC Name: 2-fluoro-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)F

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Specifications

PubChem CID	2778925
CAS	124700-41-0
Molecular Weight (g/mol)	266.01
MDL Number	MFCD03094517
SMILES	C1=CC(=C(C=C1I)C(=O)O)F
Synonym	benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid
IUPAC Name	2-fluoro-5-iodobenzoic acid
InChI Key	QNNJHBNTHVHALE-UHFFFAOYSA-N
Molecular Formula	C7H4FIO2

3,159

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3-Bromobenzyl chloride, 97%

CAS: 932-77-4 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040865 InChI Key: UDKGXKYEWBGQCG-UHFFFAOYSA-N Synonym: 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene PubChem CID: 523059 IUPAC Name: 1-bromo-3-(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CCl

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Specifications

PubChem CID	523059
CAS	932-77-4
Molecular Weight (g/mol)	205.479
MDL Number	MFCD00040865
SMILES	C1=CC(=CC(=C1)Br)CCl
Synonym	3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene
IUPAC Name	1-bromo-3-(chloromethyl)benzene
InChI Key	UDKGXKYEWBGQCG-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

3,160

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4-Fluoro-3-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F

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Specifications

PubChem CID	598129
CAS	42564-51-2
Molecular Weight (g/mol)	169.111
MDL Number	MFCD01861388
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
Synonym	3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde
IUPAC Name	4-fluoro-3-nitrobenzaldehyde
InChI Key	ILKWFRCNNILIJW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

3,161

Dimethyl aminoterephthalate, 99%

CAS: 5372-81-6 Molecular Formula: C₁₀H₁₁NO₄ Molecular Weight (g/mol): 209.2 MDL Number: MFCD00008427 InChI Key: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonym: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester PubChem CID: 79336 IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

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Specifications

PubChem CID	79336
CAS	5372-81-6
Molecular Weight (g/mol)	209.2
MDL Number	MFCD00008427
SMILES	COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Synonym	dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester
IUPAC Name	dimethyl 2-aminobenzene-1,4-dicarboxylate
InChI Key	DSSKDXUDARIMTR-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₁NO₄

3,162

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alpha,alpha'-Dichloro-p-xylene, 98%

CAS: 623-25-6 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl

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Specifications

PubChem CID	12171
CAS	623-25-6
MDL Number	MFCD00000920
SMILES	C1=CC(=CC=C1CCl)CCl
Synonym	1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772
IUPAC Name	1,4-bis(chloromethyl)benzene
InChI Key	ZZHIDJWUJRKHGX-UHFFFAOYSA-N

3,163

Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate, 97%, Thermo Scientific™

CAS: 906352-99-6 Molecular Formula: C14H14N2O3 Molecular Weight (g/mol): 258.28 MDL Number: MFCD09702407 InChI Key: ALDBUDYDJSLBJO-UHFFFAOYSA-N Synonym: ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester PubChem CID: 24229683 IUPAC Name: ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate SMILES: CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1

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Specifications

PubChem CID	24229683
CAS	906352-99-6
Molecular Weight (g/mol)	258.28
MDL Number	MFCD09702407
SMILES	CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1
Synonym	ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester
IUPAC Name	ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
InChI Key	ALDBUDYDJSLBJO-UHFFFAOYSA-N
Molecular Formula	C14H14N2O3

3,164

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Benzyltriphenylphosphonium bromide, 98%

CAS: 1449-46-3 Molecular Formula: C25H22BrP Molecular Weight (g/mol): 433.33 MDL Number: MFCD00031707 InChI Key: WTEPWWCRWNCUNA-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium bromide,bromo benzyl triphenylphosphorane,benzyltriphenylphosphanium bromide,phenylmethyl triphenylphosphonium bromide,benzyl triphenylphosphonium bromide,benzyl triphenyl phosphonium bromide,phosphonium, triphenyl phenylmethyl-, bromide,acmc-1ch0e,ksc491k3n PubChem CID: 2734970 IUPAC Name: benzyl(triphenyl)phosphanium;bromide SMILES: [Br-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2734970
CAS	1449-46-3
Molecular Weight (g/mol)	433.33
MDL Number	MFCD00031707
SMILES	[Br-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzyltriphenylphosphonium bromide,bromo benzyl triphenylphosphorane,benzyltriphenylphosphanium bromide,phenylmethyl triphenylphosphonium bromide,benzyl triphenylphosphonium bromide,benzyl triphenyl phosphonium bromide,phosphonium, triphenyl phenylmethyl-, bromide,acmc-1ch0e,ksc491k3n
IUPAC Name	benzyl(triphenyl)phosphanium;bromide
InChI Key	WTEPWWCRWNCUNA-UHFFFAOYSA-M
Molecular Formula	C25H22BrP

3,165

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Methyl 4-bromo-3-methylbenzoate, 95%

CAS: 148547-19-7 Molecular Formula: C₉H₉BrO₂ Molecular Weight (g/mol): 229.07 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br

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Specifications

PubChem CID	3294148
CAS	148547-19-7
Molecular Weight (g/mol)	229.07
SMILES	CC1=C(C=CC(=C1)C(=O)OC)Br
Synonym	4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970
IUPAC Name	methyl 4-bromo-3-methylbenzoate
InChI Key	GTZTYNPAPQKIIR-UHFFFAOYSA-N
Molecular Formula	C₉H₉BrO₂

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