3-CHLORO-4-METHYL-5-NITROBENZENESULFONIC 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 3-CHLORO-4-METHYL-5-NITROBENZENESULFONIC ACID

Structure Search

SMILES

CC1=C(Cl)C=C(C=C1[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=PFQCWESEIXPRLI-UHFFFAOYSA-N

InChI=1S/C7H6ClNO5S/c1-4-6(8)2-5(15(12,13)14)3-7(4)9(10)11/h2-3H,1H3,(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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:22:51 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:51 GMT 2025`
Record UNII	TX455W3NVL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

3-CHLORO-4-METHYL-5-NITROBENZENESULFONIC ACID

Systematic Name

English

P-TOLUENESULFONIC ACID, 3-CHLORO-5-NITRO-

Common Name

English

Code System Code Type Description

CAS

68189-28-6

Created by admin on Mon Mar 31 19:22:51 GMT 2025 , Edited by admin on Mon Mar 31 19:22:51 GMT 2025

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EPA CompTox

DTXSID4071217

Created by admin on Mon Mar 31 19:22:51 GMT 2025 , Edited by admin on Mon Mar 31 19:22:51 GMT 2025

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PUBCHEM

109710

Created by admin on Mon Mar 31 19:22:51 GMT 2025 , Edited by admin on Mon Mar 31 19:22:51 GMT 2025

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FDA UNII

TX455W3NVL

Created by admin on Mon Mar 31 19:22:51 GMT 2025 , Edited by admin on Mon Mar 31 19:22:51 GMT 2025

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ECHA (EC/EINECS)

269-185-5

Created by admin on Mon Mar 31 19:22:51 GMT 2025 , Edited by admin on Mon Mar 31 19:22:51 GMT 2025

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