3-Nitro-4-chlorobenzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.564
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Nitro-4-chlorobenzonitrile

Structure Search

SMILES

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

InChI

InChIKey=XBLPHYSLHRGMNW-UHFFFAOYSA-N

InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

HIDE SMILES / InChI

Molecular Formula	C7H3ClN2O2
Molecular Weight	182.564
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 19:38:12 GMT 2025` Edited by `admin` on `Tue Apr 01 19:38:12 GMT 2025`
Record UNII	LN9NCA5P2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Nitro-4-chlorobenzonitrile

Systematic Name

English

BENZONITRILE, 4-CHLORO-3-NITRO-

Preferred Name

English

4-Chloro-3-nitrobenzonitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

LN9NCA5P2M

Created by admin on Tue Apr 01 19:38:12 GMT 2025 , Edited by admin on Tue Apr 01 19:38:12 GMT 2025

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PUBCHEM

13655

Created by admin on Tue Apr 01 19:38:12 GMT 2025 , Edited by admin on Tue Apr 01 19:38:12 GMT 2025

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CAS

939-80-0

Created by admin on Tue Apr 01 19:38:12 GMT 2025 , Edited by admin on Tue Apr 01 19:38:12 GMT 2025

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EPA CompTox

DTXSID50239868

Created by admin on Tue Apr 01 19:38:12 GMT 2025 , Edited by admin on Tue Apr 01 19:38:12 GMT 2025

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ECHA (EC/EINECS)

213-364-2

Created by admin on Tue Apr 01 19:38:12 GMT 2025 , Edited by admin on Tue Apr 01 19:38:12 GMT 2025

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