4-Methyl-2-nitrobenzoyl chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6ClNO3
Molecular Weight	199.591
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methyl-2-nitrobenzoyl chloride

Structure Search

SMILES

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

InChI

InChIKey=NGWLWEKYLVWRNX-UHFFFAOYSA-N

InChI=1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)7(4-5)10(12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6ClNO3
Molecular Weight	199.591
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 `Wed Apr 02 18:40:36 GMT 2025` Edited by `admin` on `Wed Apr 02 18:40:36 GMT 2025`
Record UNII	S4ZN85A6ZA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Methyl-2-nitrobenzoyl chloride

Systematic Name

English

Benzoyl chloride, 4-methyl-2-nitro-

Preferred Name

English

Code System Code Type Description

CAS

50424-81-2

Created by admin on Wed Apr 02 18:40:36 GMT 2025 , Edited by admin on Wed Apr 02 18:40:36 GMT 2025

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EPA CompTox

DTXSID70198463

Created by admin on Wed Apr 02 18:40:36 GMT 2025 , Edited by admin on Wed Apr 02 18:40:36 GMT 2025

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PUBCHEM

3016522

Created by admin on Wed Apr 02 18:40:36 GMT 2025 , Edited by admin on Wed Apr 02 18:40:36 GMT 2025

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FDA UNII

S4ZN85A6ZA

Created by admin on Wed Apr 02 18:40:36 GMT 2025 , Edited by admin on Wed Apr 02 18:40:36 GMT 2025

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ECHA (EC/EINECS)

256-587-0

Created by admin on Wed Apr 02 18:40:36 GMT 2025 , Edited by admin on Wed Apr 02 18:40:36 GMT 2025

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