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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6BrN
Molecular Weight 196.044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Bromomethyl)benzonitrile

SMILES

BrCC1=CC=CC=C1C#N

InChI

InChIKey=QGXNHCXKWFNKCG-UHFFFAOYSA-N
InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(Bromomethyl)benzonitrile
Systematic Name English
2-Cyanobenzyl bromide
Preferred Name English
Benzonitrile, 2-(bromomethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40176632
Created by admin on Wed Apr 02 17:56:26 GMT 2025 , Edited by admin on Wed Apr 02 17:56:26 GMT 2025
PRIMARY
FDA UNII
4JJW3K9YJF
Created by admin on Wed Apr 02 17:56:26 GMT 2025 , Edited by admin on Wed Apr 02 17:56:26 GMT 2025
PRIMARY
CAS
22115-41-9
Created by admin on Wed Apr 02 17:56:26 GMT 2025 , Edited by admin on Wed Apr 02 17:56:26 GMT 2025
PRIMARY
PUBCHEM
89599
Created by admin on Wed Apr 02 17:56:26 GMT 2025 , Edited by admin on Wed Apr 02 17:56:26 GMT 2025
PRIMARY
NIH
NCATS
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