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CAS 845781-35-3

:

4-Fluoro-β-methyl-δ-oxobenzenepentanoic acid

Description:
4-Fluoro-β-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 845781-35-3, is a chemical compound that belongs to the class of substituted benzenes and carboxylic acids. Its structure features a fluorine atom at the para position relative to a carboxylic acid group, along with a β-methyl and a δ-oxobenzene moiety, which contribute to its unique reactivity and properties. This compound is likely to exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid functional group, while the aromatic ring may impart some hydrophobic characteristics. The fluorine substitution can enhance the compound's lipophilicity and influence its biological activity, making it of interest in medicinal chemistry. Additionally, the presence of the ketone functionality (δ-oxo) may provide sites for further chemical modifications. Overall, 4-Fluoro-β-methyl-δ-oxobenzenepentanoic acid is a compound with potential applications in pharmaceuticals and organic synthesis, although specific biological or chemical properties would require further investigation.
Formula:C12H13FO3
InChI:InChI=1S/C12H13FO3/c1-8(7-12(15)16)6-11(14)9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI key:InChIKey=ZWBGHTFNUNUFKM-UHFFFAOYSA-N
SMILES:C(CC(CC(O)=O)C)(=O)C1=CC=C(F)C=C1
Synonyms:
  • Benzenepentanoic acid, 4-fluoro-β-methyl-δ-oxo-
  • 4-Fluoro-β-methyl-δ-oxobenzenepentanoic acid
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