Methyl 4-chloro-3,5-dinitrobenzoate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5ClN2O6
Molecular Weight	260.588
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-chloro-3,5-dinitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=YJUFTUQWRBJBJN-UHFFFAOYSA-N

InChI=1S/C8H5ClN2O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H5ClN2O6
Molecular Weight	260.588
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 20:06:08 GMT 2025` Edited by `admin` on `Tue Apr 01 20:06:08 GMT 2025`
Record UNII	92U5UH86LK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4-chloro-3,5-dinitrobenzoate

Systematic Name

English

NSC-56926

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10180221

Created by admin on Tue Apr 01 20:06:08 GMT 2025 , Edited by admin on Tue Apr 01 20:06:08 GMT 2025

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CAS

2552-45-6

Created by admin on Tue Apr 01 20:06:08 GMT 2025 , Edited by admin on Tue Apr 01 20:06:08 GMT 2025

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NSC

56926

Created by admin on Tue Apr 01 20:06:08 GMT 2025 , Edited by admin on Tue Apr 01 20:06:08 GMT 2025

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FDA UNII

92U5UH86LK

Created by admin on Tue Apr 01 20:06:08 GMT 2025 , Edited by admin on Tue Apr 01 20:06:08 GMT 2025

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PUBCHEM

96161

Created by admin on Tue Apr 01 20:06:08 GMT 2025 , Edited by admin on Tue Apr 01 20:06:08 GMT 2025

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