2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898750-22-6
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CAS Name

2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C16H11ClFNO

Molecular Mass

287.72

Cite this Page

2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898750-22-6 (retrieved 2024-08-03) (CAS RN: 898750-22-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H11ClFNO/c17-13-7-11(8-14(18)9-13)5-6-16(20)15-4-2-1-3-12(15)10-19/h1-4,7-9H,5-6H2

InChIKey

InChIKey=PEJQHOXINKWNTG-UHFFFAOYSA-N

SMILES

C(CCC1=CC(Cl)=CC(F)=C1)(=O)C2=C(C#N)C=CC=C2

Canonical SMILES

N#CC=1C=CC=CC1C(=O)CCC=2C=C(F)C=C(Cl)C2

Other Names for this Substance

  • Benzonitrile, 2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]-
  • 2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile