3-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8ClNO3S
Molecular Weight	221.661
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID

Structure Search

SMILES

CC1=C(Cl)C=C(C=C1N)S(O)(=O)=O

InChI

InChIKey=RSCRGMCYBCTJGF-UHFFFAOYSA-N

InChI=1S/C7H8ClNO3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C7H8ClNO3S
Molecular Weight	221.661
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 12:25:55 GMT 2023` Edited by `admin` on `Sat Dec 16 12:25:55 GMT 2023`
Record UNII	C9Q2C8P92X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID

Systematic Name

English

ACTS

Common Name

English

BENZENESULFONIC ACID, 3-AMINO-5-CHLORO-4-METHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

228-993-8

Created by admin on Sat Dec 16 12:25:55 GMT 2023 , Edited by admin on Sat Dec 16 12:25:55 GMT 2023

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CAS

6387-27-5

Created by admin on Sat Dec 16 12:25:55 GMT 2023 , Edited by admin on Sat Dec 16 12:25:55 GMT 2023

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EPA CompTox

DTXSID3064304

Created by admin on Sat Dec 16 12:25:55 GMT 2023 , Edited by admin on Sat Dec 16 12:25:55 GMT 2023

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FDA UNII

C9Q2C8P92X

Created by admin on Sat Dec 16 12:25:55 GMT 2023 , Edited by admin on Sat Dec 16 12:25:55 GMT 2023

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PUBCHEM

80806

Created by admin on Sat Dec 16 12:25:55 GMT 2023 , Edited by admin on Sat Dec 16 12:25:55 GMT 2023

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