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CAS 845781-49-9

:

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

Description:
3-Chloro-5-fluoro-β-methyl-δ-oxobenzenepentanoic acid, with the CAS number 845781-49-9, is a chemical compound that features a complex structure characterized by the presence of a benzenoid ring substituted with chlorine and fluorine atoms, as well as a pentanoic acid chain. The presence of the β-methyl and δ-oxo functional groups indicates that this compound has both aliphatic and aromatic characteristics, which can influence its reactivity and solubility. The chlorine and fluorine substituents typically enhance the compound's lipophilicity and may affect its biological activity, making it of interest in pharmaceutical research. The carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. Overall, the unique combination of functional groups in this compound may lead to diverse applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C12H12ClFO3
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)
InChI key:InChIKey=SBEIXPYIFIYKIH-UHFFFAOYSA-N
SMILES:C(CC(CC(O)=O)C)(=O)C1=CC(Cl)=CC(F)=C1
Synonyms:
  • Benzenepentanoic acid, 3-chloro-5-fluoro-β-methyl-δ-oxo-
  • 3-Chloro-5-fluoro-β-methyl-δ-oxobenzenepentanoic acid
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