4-Chloro-3,5-dinitrobenzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H3ClN2O6
Molecular Weight	246.562
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Chloro-3,5-dinitrobenzoic acid

Structure Search

SMILES

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

InChI

InChIKey=PCTFIHOVQYYAMH-UHFFFAOYSA-N

InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C7H3ClN2O6
Molecular Weight	246.562
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 19:09:51 GMT 2025` Edited by `admin` on `Tue Apr 01 19:09:51 GMT 2025`
Record UNII	469845UZF8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Chloro-3,5-dinitrobenzoic acid

Systematic Name

English

NSC-76583

Preferred Name

English

Benzoic acid, 4-chloro-3,5-dinitro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

8377

Created by admin on Tue Apr 01 19:09:51 GMT 2025 , Edited by admin on Tue Apr 01 19:09:51 GMT 2025

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CAS

118-97-8

Created by admin on Tue Apr 01 19:09:51 GMT 2025 , Edited by admin on Tue Apr 01 19:09:51 GMT 2025

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ECHA (EC/EINECS)

204-290-1

Created by admin on Tue Apr 01 19:09:51 GMT 2025 , Edited by admin on Tue Apr 01 19:09:51 GMT 2025

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EPA CompTox

DTXSID2059481

Created by admin on Tue Apr 01 19:09:51 GMT 2025 , Edited by admin on Tue Apr 01 19:09:51 GMT 2025

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NSC

76583

Created by admin on Tue Apr 01 19:09:51 GMT 2025 , Edited by admin on Tue Apr 01 19:09:51 GMT 2025

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FDA UNII

469845UZF8

Created by admin on Tue Apr 01 19:09:51 GMT 2025 , Edited by admin on Tue Apr 01 19:09:51 GMT 2025

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