Methyl 3-(chlorocarbonyl)-5-nitrobenzoate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6ClNO5
Molecular Weight	243.601
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 3-(chlorocarbonyl)-5-nitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=DQTOZIJNMYYCJE-UHFFFAOYSA-N

InChI=1S/C9H6ClNO5/c1-16-9(13)6-2-5(8(10)12)3-7(4-6)11(14)15/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H6ClNO5
Molecular Weight	243.601
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 19:36:18 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:18 GMT 2025`
Record UNII	NR8ELP9QT2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 3-(chlorocarbonyl)-5-nitrobenzoate

Systematic Name

English

Benzoic acid, 3-(chlorocarbonyl)-5-nitro-, methyl ester

Preferred Name

English

methyl 3-carbonochloridoyl-5-nitrobenzoate

Systematic Name

English

Code System Code Type Description

CAS

1955-04-0

Created by admin on Tue Apr 01 19:36:18 GMT 2025 , Edited by admin on Tue Apr 01 19:36:18 GMT 2025

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EPA CompTox

DTXSID80173221

Created by admin on Tue Apr 01 19:36:18 GMT 2025 , Edited by admin on Tue Apr 01 19:36:18 GMT 2025

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FDA UNII

NR8ELP9QT2

Created by admin on Tue Apr 01 19:36:18 GMT 2025 , Edited by admin on Tue Apr 01 19:36:18 GMT 2025

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ECHA (EC/EINECS)

217-789-4

Created by admin on Tue Apr 01 19:36:18 GMT 2025 , Edited by admin on Tue Apr 01 19:36:18 GMT 2025

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PUBCHEM

74774

Created by admin on Tue Apr 01 19:36:18 GMT 2025 , Edited by admin on Tue Apr 01 19:36:18 GMT 2025

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