Benzonitrile, 3-(7-chloro-1-oxoheptyl)-

CAS Registry Number®

898786-76-0
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CAS Name

Benzonitrile, 3-(7-chloro-1-oxoheptyl)-

Molecular Formula

C14H16ClNO

Molecular Mass

249.74

Cite this Page

Benzonitrile, 3-(7-chloro-1-oxoheptyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898786-76-0 (retrieved 2024-07-06) (CAS RN: 898786-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H16ClNO/c15-9-4-2-1-3-8-14(17)13-7-5-6-12(10-13)11-16/h5-7,10H,1-4,8-9H2

InChIKey

InChIKey=DTEWSADGBKJKNW-UHFFFAOYSA-N

SMILES

C(CCCCCCCl)(=O)C1=CC(C#N)=CC=C1

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCCCCCCl

Other Names for this Substance

  • Benzonitrile, 3-(7-chloro-1-oxoheptyl)-
  • 7-Chloro-1-(3-cyanophenyl)-1-oxoheptane
  • 3-(7-Chloroheptanoyl)benzonitrile