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CAS Number: 796600-15-2
2-chloro-4-fluoro-3-methylbenzonitrile

Structure

2-chloro-4-fluoro-3-methylbenzonitrile
Name: 2-chloro-4-fluoro-3-methylbenzonitrile
Synonyms:
General Information
Product Number: 796600152
CAS Registry Number: 796600-15-2
Name:
        Benzonitrile, 2-​chloro-​4-​fluoro-​3-​methyl-
        2-​Chloro-​4-​fluoro-​3-​methylbenzonitrile 
 
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%)
Elemental Analysis: C, 56.66; H, 2.97; Cl, 20.91; F, 11.20; N, 8.26
 
InChI: InChI=1S/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3
InChIKey: IOKBJSAKTZEMBR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1Cl)C#N)F

Specification

98%

References
  1. (1) Schlienger, Nathalie; Journal of Medicinal Chemistry 2009, V52(22), P7186-7191 CAPLUS
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