4-(Bromoacetyl)benzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6BrNO
Molecular Weight	224.054
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(Bromoacetyl)benzonitrile

Structure Search

SMILES

BrCC(=O)C1=CC=C(C=C1)C#N

InChI

InChIKey=LJANCPRIUMHGJE-UHFFFAOYSA-N

InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula	C9H6BrNO
Molecular Weight	224.054
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 `Wed Apr 02 13:17:47 GMT 2025` Edited by `admin` on `Wed Apr 02 13:17:47 GMT 2025`
Record UNII	E6T2NP32GC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(Bromoacetyl)benzonitrile

Systematic Name

English

NSC-157569

Preferred Name

English

BENZONITRILE, 4-(BROMOACETYL)-

Systematic Name

English

4-CYANOPHENACYL BROMIDE

Common Name

English

P-CYANOPHENACYL BROMIDE

Common Name

English

Code System Code Type Description

CAS

20099-89-2

Created by admin on Wed Apr 02 13:17:47 GMT 2025 , Edited by admin on Wed Apr 02 13:17:47 GMT 2025

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NSC

157569

Created by admin on Wed Apr 02 13:17:47 GMT 2025 , Edited by admin on Wed Apr 02 13:17:47 GMT 2025

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PUBCHEM

98654

Created by admin on Wed Apr 02 13:17:47 GMT 2025 , Edited by admin on Wed Apr 02 13:17:47 GMT 2025

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EPA CompTox

DTXSID00173920

Created by admin on Wed Apr 02 13:17:47 GMT 2025 , Edited by admin on Wed Apr 02 13:17:47 GMT 2025

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FDA UNII

E6T2NP32GC

Created by admin on Wed Apr 02 13:17:47 GMT 2025 , Edited by admin on Wed Apr 02 13:17:47 GMT 2025

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