3-Nitrobenzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Nitrobenzonitrile

Structure Search

SMILES

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

InChI

InChIKey=RUSAWEHOGCWOPG-UHFFFAOYSA-N

InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H

HIDE SMILES / InChI

Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
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 `Mon Mar 31 21:53:07 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:07 GMT 2025`
Record UNII	JDN9Z8WU2R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-5382

Preferred Name

English

3-Nitrobenzonitrile

Systematic Name

English

Benzonitrile, 3-nitro-

Systematic Name

English

m-Nitrobenzonitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

JDN9Z8WU2R

Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025

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NSC

5382

Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025

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EPA CompTox

DTXSID5060697

Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025

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CAS

619-24-9

Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025

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PUBCHEM

12079

Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025

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ECHA (EC/EINECS)

210-587-7

Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025

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