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CAS 845781-48-8

:

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

Description:
3-Chloro-4-fluoro-β-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 845781-48-8, is a synthetic organic compound characterized by its complex structure, which includes a benzene 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 contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic benzene ring, while the carboxylic acid group may impart some degree of polarity. Its chlorinated and fluorinated substituents can enhance lipophilicity and influence biological activity, making it of interest in drug development. The compound's stability, reactivity, and potential interactions with biological targets would depend on its specific functional groups and overall molecular conformation. As with many synthetic compounds, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact.
Formula:C12H12ClFO3
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)
InChI key:InChIKey=AYJSWZIZBYHAJZ-UHFFFAOYSA-N
SMILES:C(CC(CC(O)=O)C)(=O)C1=CC(Cl)=C(F)C=C1
Synonyms:
  • 3-Chloro-4-fluoro-β-methyl-δ-oxobenzenepentanoic acid
  • Benzenepentanoic acid, 3-chloro-4-fluoro-β-methyl-δ-oxo-
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