3-Chloro-2-methyl-6-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-2-methyl-6-nitrobenzenesulfonic acid

Structure Search

SMILES

CC1=C(C(=CC=C1Cl)[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=IRDVVOKGYRSNHH-UHFFFAOYSA-N

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:20:21 GMT 2023` Edited by `admin` on `Sat Dec 16 12:20:21 GMT 2023`
Record UNII	SA393HX4CB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chloro-2-methyl-6-nitrobenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 3-chloro-2-methyl-6-nitro-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

269-870-9

Created by admin on Sat Dec 16 12:20:21 GMT 2023 , Edited by admin on Sat Dec 16 12:20:21 GMT 2023

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EPA CompTox

DTXSID1071450

Created by admin on Sat Dec 16 12:20:21 GMT 2023 , Edited by admin on Sat Dec 16 12:20:21 GMT 2023

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FDA UNII

SA393HX4CB

Created by admin on Sat Dec 16 12:20:21 GMT 2023 , Edited by admin on Sat Dec 16 12:20:21 GMT 2023

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PUBCHEM

110079

Created by admin on Sat Dec 16 12:20:21 GMT 2023 , Edited by admin on Sat Dec 16 12:20:21 GMT 2023

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CAS

68368-39-8

Created by admin on Sat Dec 16 12:20:21 GMT 2023 , Edited by admin on Sat Dec 16 12:20:21 GMT 2023

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