3-Chloro-4-fluoro-γ-oxobenzenebutanoic acid

CAS Registry Number®

62903-16-6
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CAS Name

3-Chloro-4-fluoro-γ-oxobenzenebutanoic acid

Molecular Formula

C10H8ClFO3

Molecular Mass

230.62

Cite this Page

3-Chloro-4-fluoro-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62903-16-6 (retrieved 2024-08-19) (CAS RN: 62903-16-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-113 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H8ClFO3/c11-7-5-6(1-2-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

InChIKey

InChIKey=HEGKPWCFQKZTBW-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)(=O)C1=CC(Cl)=C(F)C=C1

Canonical SMILES

O=C(O)CCC(=O)C1=CC=C(F)C(Cl)=C1

Other Names for this Substance

  • Benzenebutanoic acid, 3-chloro-4-fluoro-γ-oxo-
  • 3-Chloro-4-fluoro-γ-oxobenzenebutanoic acid
  • 3-(3-Chloro-4-fluorobenzoyl)propionic acid