3,4,5-Trifluoro-α-oxobenzeneacetic acid

CAS Registry Number®

890097-95-7
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CAS Name

3,4,5-Trifluoro-α-oxobenzeneacetic acid

Molecular Formula

C8H3F3O3

Molecular Mass

204.10

Cite this Page

3,4,5-Trifluoro-α-oxobenzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=890097-95-7 (retrieved 2024-09-06) (CAS RN: 890097-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H3F3O3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2H,(H,13,14)

InChIKey

InChIKey=ZTDBEJANLSIGOC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, 3,4,5-trifluoro-α-oxo-
  • 3,4,5-Trifluoro-α-oxobenzeneacetic acid
  • (3,4,5-Trifluorophenyl)glyoxylic acid
  • 2-Oxo-2-(3,4,5-trifluorophenyl)acetic acid