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

CAS Registry Number®

898787-70-7
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CAS Name

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

Molecular Formula

C16H12ClNO

Molecular Mass

269.73

Cite this Page

4-[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=898787-70-7 (retrieved 2024-07-06) (CAS RN: 898787-70-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZBMOXMDLHXZSRK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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