4-Methyl-3-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-3-nitrobenzoyl chloride

Structure Search

SMILES

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

InChI

InChIKey=DXMHBBURYDVYAI-UHFFFAOYSA-N

InChI=1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(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 `Tue Apr 01 19:02:13 GMT 2025` Edited by `admin` on `Tue Apr 01 19:02:13 GMT 2025`
Record UNII	YRS5H97K47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Methyl-3-nitrobenzoyl chloride

Systematic Name

English

Benzoyl chloride, 4-methyl-3-nitro-

Preferred Name

English

Code System Code Type Description

CAS

10397-30-5

Created by admin on Tue Apr 01 19:02:13 GMT 2025 , Edited by admin on Tue Apr 01 19:02:13 GMT 2025

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EPA CompTox

DTXSID20146171

Created by admin on Tue Apr 01 19:02:13 GMT 2025 , Edited by admin on Tue Apr 01 19:02:13 GMT 2025

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FDA UNII

YRS5H97K47

Created by admin on Tue Apr 01 19:02:13 GMT 2025 , Edited by admin on Tue Apr 01 19:02:13 GMT 2025

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PUBCHEM

66323

Created by admin on Tue Apr 01 19:02:13 GMT 2025 , Edited by admin on Tue Apr 01 19:02:13 GMT 2025

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ECHA (EC/EINECS)

233-858-1

Created by admin on Tue Apr 01 19:02:13 GMT 2025 , Edited by admin on Tue Apr 01 19:02:13 GMT 2025

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