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

CAS Registry Number®

898787-68-3

CAS Name

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

Molecular Formula

C16H12ClNO

Molecular Mass

269.73

Cite this Page

3-[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=898787-68-3 (retrieved 2024-11-24) (CAS RN: 898787-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZZDLFKPMFVICOJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCC2=CC=C(Cl)C=C2

Other Names for this Substance

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

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