2-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 2-CHLORO-3,5-DINITROBENZOIC ACID

Structure Search

SMILES

OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=ADTKEYLCJYYHHH-UHFFFAOYSA-N

InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)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 `Sat Dec 16 19:03:41 GMT 2023` Edited by `admin` on `Sat Dec 16 19:03:41 GMT 2023`
Record UNII	PWE56YK9ST
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-CHLORO-3,5-DINITROBENZOIC ACID

Systematic Name

English

NSC-4538

Code

English

2-CARBOXY-4,6-DINITROCHLOROBENZENE

Systematic Name

English

3,5-DINITRO-2-CHLOROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 2-CHLORO-3,5-DINITRO-

Systematic Name

English

Code System Code Type Description

CAS

2497-91-8

Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023

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FDA UNII

PWE56YK9ST

Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023

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EPA CompTox

DTXSID20179686

Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023

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NSC

4538

Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023

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PUBCHEM

17247

Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023

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ECHA (EC/EINECS)

219-684-9

Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023

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