2-[(4-Chlorophenyl)methyl]benzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H11ClO2
Molecular Weight	246.689
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[(4-Chlorophenyl)methyl]benzoic acid

Structure Search

SMILES

OC(=O)C1=C(CC2=CC=C(Cl)C=C2)C=CC=C1

InChI

InChIKey=GSOKCVIYGKIMJK-UHFFFAOYSA-N

InChI=1S/C14H11ClO2/c15-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(16)17/h1-8H,9H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C14H11ClO2
Molecular Weight	246.689
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:10:59 GMT 2023` Edited by `admin` on `Sat Dec 16 20:10:59 GMT 2023`
Record UNII	N4NJJ7RL98
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[(4-Chlorophenyl)methyl]benzoic acid

Systematic Name

English

Benzoic acid, 2-[(4-chlorophenyl)methyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

N4NJJ7RL98

Created by admin on Sat Dec 16 20:10:59 GMT 2023 , Edited by admin on Sat Dec 16 20:10:59 GMT 2023

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ECHA (EC/EINECS)

225-510-2

Created by admin on Sat Dec 16 20:10:59 GMT 2023 , Edited by admin on Sat Dec 16 20:10:59 GMT 2023

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PUBCHEM

78602

Created by admin on Sat Dec 16 20:10:59 GMT 2023 , Edited by admin on Sat Dec 16 20:10:59 GMT 2023

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EPA CompTox

DTXSID60197627

Created by admin on Sat Dec 16 20:10:59 GMT 2023 , Edited by admin on Sat Dec 16 20:10:59 GMT 2023

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CAS

4889-70-7

Created by admin on Sat Dec 16 20:10:59 GMT 2023 , Edited by admin on Sat Dec 16 20:10:59 GMT 2023

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