CAS Registry Number 251570-03-3
Name:
Benzeneacetonitrile, 4-​chloro-​3-​fluoro-
(4-Chloro-3-fluorophenyl)acetonitrile

Chemical Formula: C8H5ClFN
Exact Mass: 169.01
Molecular Weight: 169.58
m/z: 169.01 (100.0%), 171.01 (32.0%), 170.01 (9.0%), 172.01 (2.8%)

InChI: InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey: IDBYHCGSWMSFLY-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1CC#N)F)Cl

Specification

98%

1. (1) Tahirovic, Yesim A.; Journal of Medicinal Chemistry 2008, V51(18), P5506-5521 CAPLUS