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CAS Number: 499983-13-0
2-(4-bromo-3-fluorophenyl)acetonitrile

Structure

2-(4-bromo-3-fluorophenyl)acetonitrile
Name: 2-(4-bromo-3-fluorophenyl)acetonitrile
Synonyms:
General Information
Product Number: 499983130
CAS Registry Number: 499983-13-0
Name:
        Benzeneacetonitrile, 4-​bromo-​3-​fluoro-
        (4-​Bromo-​3-​fluorophenyl)​acetonitrile 
 
Chemical Formula: C8H5BrFN
Exact Mass: 212.96
Molecular Weight: 214.03
m/z: 212.96 (100.0%), 214.96 (97.3%), 213.96 (9.0%), 215.96 (8.5%)
Elemental Analysis: C, 44.89; H, 2.35; Br, 37.33; F, 8.88; N, 6.54
 
InChI: InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey: CGDCFGJXTOGEGD-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1CC#N)F)Br

Specification

98%

References
  1. (1) Peretto, Ilaria; Journal of Medicinal Chemistry 2005, V48(18), P5705-5720 CAPLUS
  2. (2) Schiefer, Isaac T.; Journal of Medicinal Chemistry 2011, V54(7), P2293-2306 CAPLUS
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