3-Chloro-5-fluoro-β-methyl-δ-oxobenzenepentanoic acid

CAS Registry Number®

845781-49-9
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CAS Name

3-Chloro-5-fluoro-β-methyl-δ-oxobenzenepentanoic acid

Molecular Formula

C12H12ClFO3

Molecular Mass

258.67

Cite this Page

3-Chloro-5-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=845781-49-9 (retrieved 2024-07-04) (CAS RN: 845781-49-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12ClFO3/c1-7(3-12(16)17)2-11(15)8-4-9(13)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,16,17)

InChIKey

InChIKey=SBEIXPYIFIYKIH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(C)CC(=O)C=1C=C(F)C=C(Cl)C1

Other Names for this Substance

  • Benzenepentanoic acid, 3-chloro-5-fluoro-β-methyl-δ-oxo-
  • 3-Chloro-5-fluoro-β-methyl-δ-oxobenzenepentanoic acid