2′-Chloro-α-methylene-γ-oxo[1,1′-biphenyl]-4-butanoic acid

CAS Registry Number®

58182-63-1

CAS Name

2′-Chloro-α-methylene-γ-oxo[1,1′-biphenyl]-4-butanoic acid

Molecular Formula

C17H13ClO3

Molecular Mass

300.74

Cite this Page

2′-Chloro-α-methylene-γ-oxo[1,1′-biphenyl]-4-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58182-63-1 (retrieved 2024-11-22) (CAS RN: 58182-63-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H13ClO3/c1-11(17(20)21)10-16(19)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-9H,1,10H2,(H,20,21)

InChIKey

InChIKey=HJWLWNLAIBFKDO-UHFFFAOYSA-N

SMILES

ClC1=C(C=CC=C1)C2=CC=C(C(CC(C(O)=O)=C)=O)C=C2

Canonical SMILES

O=C(O)C(=C)CC(=O)C=1C=CC(=CC1)C=2C=CC=CC2Cl

Other Names for this Substance

  • [1,1′-Biphenyl]-4-butanoic acid, 2′-chloro-α-methylene-γ-oxo-
  • 2′-Chloro-α-methylene-γ-oxo[1,1′-biphenyl]-4-butanoic acid
  • Itanoxone
  • F 1379