U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C8H6BrN
Molecular Weight 196.044
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMOBENZYL CYANIDE

SMILES

BrC(C#N)C1=CC=CC=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H6BrN
Molecular Weight 196.044
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
7JP1R2F6C6
Record Status Validated (UNII)
Record Version