3-Methyl-4-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 3-Methyl-4-nitrobenzoyl chloride

Structure Search

SMILES

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

InChI

InChIKey=DUEGOHNPUBPUIV-UHFFFAOYSA-N

InChI=1S/C8H6ClNO3/c1-5-4-6(8(9)11)2-3-7(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 20:27:17 GMT 2025` Edited by `admin` on `Wed Apr 02 20:27:17 GMT 2025`
Record UNII	MQH46LEX98
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methyl-4-nitrobenzoyl chloride

Systematic Name

English

3-Methyl-p-nitrobenzoyl chloride

Preferred Name

English

Benzoyl chloride, 3-methyl-4-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

MQH46LEX98

Created by admin on Wed Apr 02 20:27:17 GMT 2025 , Edited by admin on Wed Apr 02 20:27:17 GMT 2025

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PUBCHEM

3015795

Created by admin on Wed Apr 02 20:27:17 GMT 2025 , Edited by admin on Wed Apr 02 20:27:17 GMT 2025

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ECHA (EC/EINECS)

252-670-0

Created by admin on Wed Apr 02 20:27:17 GMT 2025 , Edited by admin on Wed Apr 02 20:27:17 GMT 2025

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CAS

35675-46-8

Created by admin on Wed Apr 02 20:27:17 GMT 2025 , Edited by admin on Wed Apr 02 20:27:17 GMT 2025

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EPA CompTox

DTXSID40189181

Created by admin on Wed Apr 02 20:27:17 GMT 2025 , Edited by admin on Wed Apr 02 20:27:17 GMT 2025

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