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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 3-(2-Bromoacetyl)benzonitrile

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(3-Cyanophenyl)-2-bromoethanone
Preferred Name English
3-(2-Bromoacetyl)benzonitrile
Systematic Name English
2-Bromo-1-(3-cyanophenyl)ethanone
Systematic Name English
3-Bromoacetylbenzonitrile
Systematic Name English
2-Bromo-3?-cyanoacetophenone
Systematic Name English
3-Cyanophenacyl bromide
Systematic Name English
m-Cyanophenacyl bromide
Systematic Name English
Benzonitrile, 3-(2-bromoacetyl)-
Systematic Name English
Code System Code Type Description
CAS
50916-55-7
Created by admin on Wed Apr 02 19:43:19 GMT 2025 , Edited by admin on Wed Apr 02 19:43:19 GMT 2025
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EPA CompTox
DTXSID70370989
Created by admin on Wed Apr 02 19:43:19 GMT 2025 , Edited by admin on Wed Apr 02 19:43:19 GMT 2025
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PUBCHEM
2735867
Created by admin on Wed Apr 02 19:43:19 GMT 2025 , Edited by admin on Wed Apr 02 19:43:19 GMT 2025
PRIMARY
FDA UNII
EZR7UV88N3
Created by admin on Wed Apr 02 19:43:19 GMT 2025 , Edited by admin on Wed Apr 02 19:43:19 GMT 2025
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