5-Amino-2-chloro-4-sulfobenzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6ClNO5S
Molecular Weight	251.644
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Amino-2-chloro-4-sulfobenzoic acid

Structure Search

SMILES

NC1=CC(C(O)=O)=C(Cl)C=C1S(O)(=O)=O

InChI

InChIKey=JGSAMPZLJLDOKW-UHFFFAOYSA-N

InChI=1S/C7H6ClNO5S/c8-4-2-6(15(12,13)14)5(9)1-3(4)7(10)11/h1-2H,9H2,(H,10,11)(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula	C7H6ClNO5S
Molecular Weight	251.644
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 `Tue Apr 01 20:16:42 GMT 2025` Edited by `admin` on `Tue Apr 01 20:16:42 GMT 2025`
Record UNII	ND8QT3CDQ9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Amino-2-chloro-4-sulfobenzoic acid

Systematic Name

English

Benzoic acid, 5-amino-2-chloro-4-sulfo-

Preferred Name

English

Code System Code Type Description

PUBCHEM

79952

Created by admin on Tue Apr 01 20:16:42 GMT 2025 , Edited by admin on Tue Apr 01 20:16:42 GMT 2025

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ECHA (EC/EINECS)

227-468-0

Created by admin on Tue Apr 01 20:16:42 GMT 2025 , Edited by admin on Tue Apr 01 20:16:42 GMT 2025

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FDA UNII

ND8QT3CDQ9

Created by admin on Tue Apr 01 20:16:42 GMT 2025 , Edited by admin on Tue Apr 01 20:16:42 GMT 2025

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EPA CompTox

DTXSID7064027

Created by admin on Tue Apr 01 20:16:42 GMT 2025 , Edited by admin on Tue Apr 01 20:16:42 GMT 2025

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CAS

5855-78-7

Created by admin on Tue Apr 01 20:16:42 GMT 2025 , Edited by admin on Tue Apr 01 20:16:42 GMT 2025

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