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CAS Number: 50916-55-7
3-(2-bromoacetyl)benzonitrile

Structure

 3-(2-bromoacetyl)benzonitrile
Name: 3-(2-bromoacetyl)benzonitrile
Synonyms:
General Information
Product Number: 50916557

CAS Registry Number 50916-55-7
Name:
Benzonitrile, 3-?(2-?bromoacetyl)?-
Benzonitrile, 3-(bromoacetyl)- (9CI)
1-(3-Cyanophenyl)-2-bromoethanone
2-Bromo-1-(3-cyanophenyl)ethanone
2-Bromo-3'-cyanoacetophenone
3-(2-Bromoacetyl)benzonitrile

 

Chemical Formula: C9H6BrNO
Exact Mass: 222.96
Molecular Weight: 224.05
m/z: 222.96 (100.0%), 224.96 (97.3%), 223.97 (9.8%), 225.96 (9.8%)

 

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

InChI Key:XWCGNFLHRINYCE-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)C(=O)CBr)C#N

Specification

98%
References
  1. (1) Gryszkiewicz-Trochimowski, E.; Bulletin de la Societe Chimique de France 1948, P593-6 CAPLUS
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