3-Chloro-2-nitrotoluene

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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 3-Chloro-2-nitrotoluene

Structure Search

SMILES

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

InChI

InChIKey=JLDKNVUJLUGIBQ-UHFFFAOYSA-N

InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3

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

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:05:30 GMT 2025` Edited by `admin` on `Tue Apr 01 19:05:30 GMT 2025`
Record UNII	ZS59N6RX8U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chloro-2-nitrotoluene

Systematic Name

English

1-Chloro-3-methyl-2-nitrobenzene

Preferred Name

English

Benzene, 1-chloro-3-methyl-2-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

ZS59N6RX8U

Created by admin on Tue Apr 01 19:05:30 GMT 2025 , Edited by admin on Tue Apr 01 19:05:30 GMT 2025

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EPA CompTox

DTXSID20201911

Created by admin on Tue Apr 01 19:05:30 GMT 2025 , Edited by admin on Tue Apr 01 19:05:30 GMT 2025

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ECHA (EC/EINECS)

226-354-8

Created by admin on Tue Apr 01 19:05:30 GMT 2025 , Edited by admin on Tue Apr 01 19:05:30 GMT 2025

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PUBCHEM

79328

Created by admin on Tue Apr 01 19:05:30 GMT 2025 , Edited by admin on Tue Apr 01 19:05:30 GMT 2025

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CAS

5367-26-0

Created by admin on Tue Apr 01 19:05:30 GMT 2025 , Edited by admin on Tue Apr 01 19:05:30 GMT 2025

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