3-Chloro-4-fluoro-β-methyl-δ-oxobenzenepentanoic acid

CAS Registry Number®

845781-48-8
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CAS Name

3-Chloro-4-fluoro-β-methyl-δ-oxobenzenepentanoic acid

Molecular Formula

C12H12ClFO3

Molecular Mass

258.67

Cite this Page

3-Chloro-4-fluoro-β-methyl-δ-oxobenzenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845781-48-8 (retrieved 2024-07-04) (CAS RN: 845781-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12ClFO3/c1-7(5-12(16)17)4-11(15)8-2-3-10(14)9(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)

InChIKey

InChIKey=AYJSWZIZBYHAJZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, 3-chloro-4-fluoro-β-methyl-δ-oxo-
  • 3-Chloro-4-fluoro-β-methyl-δ-oxobenzenepentanoic acid