4-AMINO-2-CHLOROBENZOIC ACID

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6ClNO2
Molecular Weight	171.581
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-AMINO-2-CHLOROBENZOIC ACID

Structure Search

SMILES

NC1=CC=C(C(O)=O)C(Cl)=C1

InChI

InChIKey=MBDUKNCPOPMRJQ-UHFFFAOYSA-N

InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C7H6ClNO2
Molecular Weight	171.581
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:30:14 GMT 2025` Edited by `admin` on `Mon Mar 31 18:30:14 GMT 2025`
Record UNII	Y3S6924IA6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-33944

Preferred Name

English

4-AMINO-2-CHLOROBENZOIC ACID

Systematic Name

English

2-CHLORO-P-AMINOBENZOIC ACID

Systematic Name

English

O-CHLORO-P-AMINOBENZOIC ACID

Common Name

English

NSC-53160

Code

English

BENZOIC ACID, 4-AMINO-2-CHLORO-

Systematic Name

English

NSC-64328

Code

English

2-CHLORO-4-AMINOBENZOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

17154

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

CAS

2457-76-3

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

FDA UNII

Y3S6924IA6

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

EPA CompTox

DTXSID9062431

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

CHEBI

59472

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

ECHA (EC/EINECS)

219-540-5

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

NSC

64328

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

NSC

53160

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

NSC

33944

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

MESH

C029210

Created by admin on Mon Mar 31 18:30:14 GMT 2025 , Edited by admin on Mon Mar 31 18:30:14 GMT 2025

PRIMARY

Related Record Type Details


					5YVB0POT2H

PARENT -> METABOLITE

Qualification:

URINE

Amount: