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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7,471 – 7,485 of 77,726 results

7,471

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™

CAS: 128376-64-7 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD04972375 InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester PubChem CID: 2769536 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	2769536
CAS	128376-64-7
Molecular Weight (g/mol)	232.09
MDL Number	MFCD04972375
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1
Synonym	4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key	DMBMXJJGPXADPO-UHFFFAOYSA-N
Molecular Formula	C13H17BO3

7,472

3-Chlorobenzoyl Chloride 98.0+%, TCI America™

CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	69252
CAS	618-46-2
Molecular Weight (g/mol)	175.01
MDL Number	MFCD00000671
SMILES	ClC(=O)C1=CC=CC(Cl)=C1
Synonym	m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride
IUPAC Name	3-chlorobenzoyl chloride
InChI Key	WHIHIKVIWVIIER-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O

7,473

2,3-Dichlorobenzoic Acid 98.0+%, TCI America™

CAS: 50-45-3 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 InChI Key: QAOJBHRZQQDFHA-UHFFFAOYSA-N Synonym: benzoic acid, 2,3-dichloro,2,3-dichloro benzoic acid,unii-cgp39qv5wf,benzoic acid, dichloro,2,3-dichorobenzoic acid,cgp39qv5wf,dichlorobenzoic acid,lamotrigine impurity e,pubchem8198,acmc-209kmq PubChem CID: 5765 IUPAC Name: 2,3-dichlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(=O)O

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Specifications

PubChem CID	5765
CAS	50-45-3
Molecular Weight (g/mol)	191.007
SMILES	C1=CC(=C(C(=C1)Cl)Cl)C(=O)O
Synonym	benzoic acid, 2,3-dichloro,2,3-dichloro benzoic acid,unii-cgp39qv5wf,benzoic acid, dichloro,2,3-dichorobenzoic acid,cgp39qv5wf,dichlorobenzoic acid,lamotrigine impurity e,pubchem8198,acmc-209kmq
IUPAC Name	2,3-dichlorobenzoic acid
InChI Key	QAOJBHRZQQDFHA-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O2

7,474

2-Bromobenzylamine Hydrochloride 98.0+%, TCI America™

CAS: 5465-63-4 Molecular Formula: C7H8BrClN Molecular Weight (g/mol): 221.50 MDL Number: MFCD00012853 InChI Key: ZANQNQMPTMEAIP-UHFFFAOYSA-N Synonym: 2-bromobenzylamine hydrochloride,2-bromophenyl methanamine hydrochloride,o-bromobenzylamine hydrochloride,1-2-bromophenyl methanamine hydrochloride,2-bromobenzylamine hcl,1-2-bromophenyl methylamine hydrochloride,2-bromophenyl methylamine, chloride,benzenemethanamine, 2-bromo-, hydrochloride,pubchem3749,acmc-1aup2 PubChem CID: 2724202 IUPAC Name: 1-(2-bromophenyl)methanamine hydrochloridyl SMILES: [Cl].NCC1=CC=CC=C1Br

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Specifications

PubChem CID	2724202
CAS	5465-63-4
Molecular Weight (g/mol)	221.50
MDL Number	MFCD00012853
SMILES	[Cl].NCC1=CC=CC=C1Br
Synonym	2-bromobenzylamine hydrochloride,2-bromophenyl methanamine hydrochloride,o-bromobenzylamine hydrochloride,1-2-bromophenyl methanamine hydrochloride,2-bromobenzylamine hcl,1-2-bromophenyl methylamine hydrochloride,2-bromophenyl methylamine, chloride,benzenemethanamine, 2-bromo-, hydrochloride,pubchem3749,acmc-1aup2
IUPAC Name	1-(2-bromophenyl)methanamine hydrochloridyl
InChI Key	ZANQNQMPTMEAIP-UHFFFAOYSA-N
Molecular Formula	C7H8BrClN

7,475

4-(Trifluoromethyl)benzylamine 98.0+%, TCI America™

CAS: 3300-51-4 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00010220 InChI Key: PRDBLLIPPDOICK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzylamine,4-trifluoromethylbenzylamine,4-trifluoromethyl phenyl methanamine,1-4-trifluoromethyl phenyl methanamine,4-trifluoromethyl benzyl amine,p-trifluoromethylbenzyl amine,4-trifluoromethyl-benzylamine,p-trifluoromethyl benzylamine,benzenemethanamine, 4-trifluoromethyl PubChem CID: 76804 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]methanamine SMILES: NCC1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	76804
CAS	3300-51-4
Molecular Weight (g/mol)	175.15
MDL Number	MFCD00010220
SMILES	NCC1=CC=C(C=C1)C(F)(F)F
Synonym	4-trifluoromethyl benzylamine,4-trifluoromethylbenzylamine,4-trifluoromethyl phenyl methanamine,1-4-trifluoromethyl phenyl methanamine,4-trifluoromethyl benzyl amine,p-trifluoromethylbenzyl amine,4-trifluoromethyl-benzylamine,p-trifluoromethyl benzylamine,benzenemethanamine, 4-trifluoromethyl
IUPAC Name	1-[4-(trifluoromethyl)phenyl]methanamine
InChI Key	PRDBLLIPPDOICK-UHFFFAOYSA-N
Molecular Formula	C8H8F3N

7,476

Iodobenzene 99.0+%, TCI America™

CAS: 591-50-4 Molecular Formula: C6H5I Molecular Weight (g/mol): 204.01 MDL Number: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Synonym: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1

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Specifications

PubChem CID	11575
CAS	591-50-4
Molecular Weight (g/mol)	204.01
MDL Number	MFCD00001029
SMILES	IC1=CC=CC=C1
Synonym	benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene
IUPAC Name	iodobenzene
InChI Key	SNHMUERNLJLMHN-UHFFFAOYSA-N
Molecular Formula	C6H5I

7,477

2,4-Bis[8-hydroxy-1,1,7,7-tetramethyljulolidin-9-yl]squaraine 98.0+%, TCI America™

CAS: 358727-55-6 Molecular Formula: C36H44N2O4-2 Molecular Weight (g/mol): 568.758 InChI Key: ZVJJZBXHRPLGNI-UHFFFAOYSA-L Synonym: 2,4-Bis[8-hydroxy-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-yl]squaraine PubChem CID: 91972175 SMILES: CC1(CCN2CCC(C3=C(C(=CC1=C32)C4=C(C(=C4O)C5=CC6=C7C(=C5[O-])C(CCN7CCC6(C)C)(C)C)O)[O-])(C)C)C

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Specifications

PubChem CID	91972175
CAS	358727-55-6
Molecular Weight (g/mol)	568.758
SMILES	CC1(CCN2CCC(C3=C(C(=CC1=C32)C4=C(C(=C4O)C5=CC6=C7C(=C5[O-])C(CCN7CCC6(C)C)(C)C)O)[O-])(C)C)C
Synonym	2,4-Bis[8-hydroxy-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-yl]squaraine
InChI Key	ZVJJZBXHRPLGNI-UHFFFAOYSA-L
Molecular Formula	C36H44N2O4-2

7,478

3,4-Difluorotoluene 98.0+%, TCI America™

CAS: 2927-34-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD00075087 InChI Key: FZMPLKVGINKUJZ-UHFFFAOYSA-N PubChem CID: 2733400 IUPAC Name: 1,2-difluoro-4-methylbenzene SMILES: CC1=CC=C(F)C(F)=C1

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Specifications

PubChem CID	2733400
CAS	2927-34-6
Molecular Weight (g/mol)	128.12
MDL Number	MFCD00075087
SMILES	CC1=CC=C(F)C(F)=C1
IUPAC Name	1,2-difluoro-4-methylbenzene
InChI Key	FZMPLKVGINKUJZ-UHFFFAOYSA-N
Molecular Formula	C7H6F2

7,479

4,4″-Dibromo-p-terphenyl 95.0+%, TCI America™

CAS: 17788-94-2 Molecular Formula: C18H12Br2 Molecular Weight (g/mol): 388.10 MDL Number: MFCD00272889 InChI Key: VAIPJQIPFPRJKJ-UHFFFAOYSA-N Synonym: 4,4-dibromo-p-terphenyl,4,4-dibromo-1,1':4',1-terphenyl,1,1':4',1-terphenyl, 4,4-dibromo,acmc-1c6h6,1,4-bis 4-bromophenyl benzene,4-bromo-4'-4-bromophenyl-1,1'-biphenyl,1∼4∼,3∼4∼-dibromo-1∼1∼,2∼1∼:2∼4∼,3∼1∼-terphenyl,4,4 inverted exclamation marka inverted exclamation marka-dibromo-p-terphenyl,4,4 inverted exclamation marka inverted exclamation marka-dibromo-1,1 inverted exclamation marka:4 inverted exclamation marka,1 inverted exclamation marka inverted exclamation marka-terphenyl PubChem CID: 12455998 IUPAC Name: 4-bromo-4'-(4-bromophenyl)-1,1'-biphenyl SMILES: BrC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	12455998
CAS	17788-94-2
Molecular Weight (g/mol)	388.10
MDL Number	MFCD00272889
SMILES	BrC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(Br)C=C1
Synonym	4,4-dibromo-p-terphenyl,4,4-dibromo-1,1':4',1-terphenyl,1,1':4',1-terphenyl, 4,4-dibromo,acmc-1c6h6,1,4-bis 4-bromophenyl benzene,4-bromo-4'-4-bromophenyl-1,1'-biphenyl,1∼4∼,3∼4∼-dibromo-1∼1∼,2∼1∼:2∼4∼,3∼1∼-terphenyl,4,4 inverted exclamation marka inverted exclamation marka-dibromo-p-terphenyl,4,4 inverted exclamation marka inverted exclamation marka-dibromo-1,1 inverted exclamation marka:4 inverted exclamation marka,1 inverted exclamation marka inverted exclamation marka-terphenyl
IUPAC Name	4-bromo-4'-(4-bromophenyl)-1,1'-biphenyl
InChI Key	VAIPJQIPFPRJKJ-UHFFFAOYSA-N
Molecular Formula	C18H12Br2

7,480

2-Fluoroanisole 96.0+%, TCI America™

CAS: 321-28-8 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000316 InChI Key: JIXDOBAQOWOUPA-UHFFFAOYSA-N Synonym: 2-fluoroanisole,o-fluoroanisole,benzene, 1-fluoro-2-methoxy,ortho-fluoroanisole,anisole, o-fluoro,1-fluoro-2-methoxy-benzene,paragos 390201,timtec-bb sbb040818,fr bo1 wln,fluoroanisole PubChem CID: 67576 IUPAC Name: 1-fluoro-2-methoxybenzene SMILES: COC1=CC=CC=C1F

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Specifications

PubChem CID	67576
CAS	321-28-8
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00000316
SMILES	COC1=CC=CC=C1F
Synonym	2-fluoroanisole,o-fluoroanisole,benzene, 1-fluoro-2-methoxy,ortho-fluoroanisole,anisole, o-fluoro,1-fluoro-2-methoxy-benzene,paragos 390201,timtec-bb sbb040818,fr bo1 wln,fluoroanisole
IUPAC Name	1-fluoro-2-methoxybenzene
InChI Key	JIXDOBAQOWOUPA-UHFFFAOYSA-N
Molecular Formula	C7H7FO

7,481

(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol, TCI America™

CAS: 108998-83-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.362 MDL Number: MFCD00075492 InChI Key: GWVWUZJOQHWMFB-IBGZPJMESA-N Synonym: s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol PubChem CID: 7000031 IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

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Specifications

PubChem CID	7000031
CAS	108998-83-0
Molecular Weight (g/mol)	290.362
MDL Number	MFCD00075492
SMILES	C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
Synonym	s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol
IUPAC Name	(2S)-1,1,2-triphenylethane-1,2-diol
InChI Key	GWVWUZJOQHWMFB-IBGZPJMESA-N
Molecular Formula	C20H18O2

7,482

5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine 98.0+%, TCI America™

CAS: 85583-54-6 Molecular Formula: C15H16N2O3 Molecular Weight (g/mol): 272.304 MDL Number: MFCD09032965 InChI Key: KGCCHRPMSPXKJE-UHFFFAOYSA-N PubChem CID: 13314806 IUPAC Name: 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine SMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)[N+](=O)[O-]

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Specifications

PubChem CID	13314806
CAS	85583-54-6
Molecular Weight (g/mol)	272.304
MDL Number	MFCD09032965
SMILES	CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)[N+](=O)[O-]
IUPAC Name	5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine
InChI Key	KGCCHRPMSPXKJE-UHFFFAOYSA-N
Molecular Formula	C15H16N2O3

7,483

3-Amino-4-(methylthio)benzotrifluoride 98.0+%, TCI America™

CAS: 207974-07-0 Molecular Formula: C8H8F3NS Molecular Weight (g/mol): 207.214 MDL Number: MFCD00052715 InChI Key: OQFOLJGOVFYDHZ-UHFFFAOYSA-N Synonym: 3-amino-4-methylthio benzotrifluoride,2-methylthio-5-trifluoromethyl aniline,2-amino-1-methylthio-4-trifluoromethylbenzene,2-methylsulfanyl-5-trifluoromethyl aniline,2-amino-1-methylthio-4-triflyoromethylbenzene,2-methylsulfanyl-5-trifluoromethyl-phenylamine,2-methylthio-5-trifluoromethyl phenylamine,pubchem2785 PubChem CID: 606105 IUPAC Name: 2-methylsulfanyl-5-(trifluoromethyl)aniline SMILES: CSC1=C(C=C(C=C1)C(F)(F)F)N

Pricing & Availability
Specifications

PubChem CID	606105
CAS	207974-07-0
Molecular Weight (g/mol)	207.214
MDL Number	MFCD00052715
SMILES	CSC1=C(C=C(C=C1)C(F)(F)F)N
Synonym	3-amino-4-methylthio benzotrifluoride,2-methylthio-5-trifluoromethyl aniline,2-amino-1-methylthio-4-trifluoromethylbenzene,2-methylsulfanyl-5-trifluoromethyl aniline,2-amino-1-methylthio-4-triflyoromethylbenzene,2-methylsulfanyl-5-trifluoromethyl-phenylamine,2-methylthio-5-trifluoromethyl phenylamine,pubchem2785
IUPAC Name	2-methylsulfanyl-5-(trifluoromethyl)aniline
InChI Key	OQFOLJGOVFYDHZ-UHFFFAOYSA-N
Molecular Formula	C8H8F3NS

7,484

2,6-Dimethylbenzyl Chloride 98.0+%, TCI America™

CAS: 5402-60-8 Molecular Formula: C9H11Cl Molecular Weight (g/mol): 154.637 MDL Number: MFCD01310815 InChI Key: HPVRFWQMBYLJRL-UHFFFAOYSA-N PubChem CID: 221154 IUPAC Name: 2-(chloromethyl)-1,3-dimethylbenzene SMILES: CC1=C(C(=CC=C1)C)CCl

Pricing & Availability
Specifications

PubChem CID	221154
CAS	5402-60-8
Molecular Weight (g/mol)	154.637
MDL Number	MFCD01310815
SMILES	CC1=C(C(=CC=C1)C)CCl
IUPAC Name	2-(chloromethyl)-1,3-dimethylbenzene
InChI Key	HPVRFWQMBYLJRL-UHFFFAOYSA-N
Molecular Formula	C9H11Cl

7,485

3-Fluorophenylacetic Acid 98.0+%, TCI America™

CAS: 331-25-9 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004331 InChI Key: YEAUYVGUXSZCFI-UHFFFAOYSA-N Synonym: 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid PubChem CID: 67617 IUPAC Name: 2-(3-fluorophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(F)=C1

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Specifications

PubChem CID	67617
CAS	331-25-9
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00004331
SMILES	OC(=O)CC1=CC=CC(F)=C1
Synonym	3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid
IUPAC Name	2-(3-fluorophenyl)acetic acid
InChI Key	YEAUYVGUXSZCFI-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

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