Methyl 4,5-dichloro-2-nitrobenzoate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5Cl2NO4
Molecular Weight	250.036
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4,5-dichloro-2-nitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=PVDDBRQEFFELHC-UHFFFAOYSA-N

InChI=1S/C8H5Cl2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H5Cl2NO4
Molecular Weight	250.036
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 18:49:50 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:50 GMT 2025`
Record UNII	Z3YN345K2L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4,5-dichloro-2-nitrobenzoate

Systematic Name

English

Benzoic acid, 4,5-dichloro-2-nitro-, methyl ester

Preferred Name

English

Code System Code Type Description

PUBCHEM

113008

Created by admin on Tue Apr 01 18:49:50 GMT 2025 , Edited by admin on Tue Apr 01 18:49:50 GMT 2025

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EPA CompTox

DTXSID1069669

Created by admin on Tue Apr 01 18:49:50 GMT 2025 , Edited by admin on Tue Apr 01 18:49:50 GMT 2025

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CAS

63105-52-2

Created by admin on Tue Apr 01 18:49:50 GMT 2025 , Edited by admin on Tue Apr 01 18:49:50 GMT 2025

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FDA UNII

Z3YN345K2L

Created by admin on Tue Apr 01 18:49:50 GMT 2025 , Edited by admin on Tue Apr 01 18:49:50 GMT 2025

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ECHA (EC/EINECS)

263-857-1

Created by admin on Tue Apr 01 18:49:50 GMT 2025 , Edited by admin on Tue Apr 01 18:49:50 GMT 2025

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