3-[3-(3-Bromophenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898782-12-2
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CAS Name

3-[3-(3-Bromophenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C16H12BrNO

Molecular Mass

314.18

Cite this Page

3-[3-(3-Bromophenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898782-12-2 (retrieved 2024-06-27) (CAS RN: 898782-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H12BrNO/c17-15-6-2-3-12(10-15)7-8-16(19)14-5-1-4-13(9-14)11-18/h1-6,9-10H,7-8H2

InChIKey

InChIKey=AVSZFPRSDYJABE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCC=2C=CC=C(Br)C2

Other Names for this Substance

  • Benzonitrile, 3-[3-(3-bromophenyl)-1-oxopropyl]-
  • 3-[3-(3-Bromophenyl)-1-oxopropyl]benzonitrile