Ethyl 3-(chlorocarbonyl)-5-nitrobenzoate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H8ClNO5
Molecular Weight	257.627
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=ILPBPWRYTWVDGD-UHFFFAOYSA-N

InChI=1S/C10H8ClNO5/c1-2-17-10(14)7-3-6(9(11)13)4-8(5-7)12(15)16/h3-5H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H8ClNO5
Molecular Weight	257.627
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 19:13:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:13:21 GMT 2025`
Record UNII	Y3J9EE48XU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chlorocarbonyl-5-nitro-benzoic acid ethyl ester

Preferred Name

English

Ethyl 3-(chlorocarbonyl)-5-nitrobenzoate

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

300-638-2

Created by admin on Tue Apr 01 19:13:21 GMT 2025 , Edited by admin on Tue Apr 01 19:13:21 GMT 2025

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CAS

93951-16-7

Created by admin on Tue Apr 01 19:13:21 GMT 2025 , Edited by admin on Tue Apr 01 19:13:21 GMT 2025

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FDA UNII

Y3J9EE48XU

Created by admin on Tue Apr 01 19:13:21 GMT 2025 , Edited by admin on Tue Apr 01 19:13:21 GMT 2025

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PUBCHEM

3023043

Created by admin on Tue Apr 01 19:13:21 GMT 2025 , Edited by admin on Tue Apr 01 19:13:21 GMT 2025

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EPA CompTox

DTXSID40239933

Created by admin on Tue Apr 01 19:13:21 GMT 2025 , Edited by admin on Tue Apr 01 19:13:21 GMT 2025

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