2-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898787-66-1
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CAS Name

2-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C16H12ClNO

Molecular Mass

269.73

Cite this Page

2-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898787-66-1 (retrieved 2024-08-05) (CAS RN: 898787-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H12ClNO/c17-14-8-5-12(6-9-14)7-10-16(19)15-4-2-1-3-13(15)11-18/h1-6,8-9H,7,10H2

InChIKey

InChIKey=SJPNTCAOOICDSN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=CC1C(=O)CCC2=CC=C(Cl)C=C2

Other Names for this Substance

  • Benzonitrile, 2-[3-(4-chlorophenyl)-1-oxopropyl]-
  • 2-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile