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CAS 898765-95-2

:

4-Fluoro-3-methyl-δ-oxobenzenepentanoic acid

Description:
4-Fluoro-3-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 898765-95-2, is a chemical compound that features a benzene ring substituted with a fluorine atom and a methyl group, along with a pentanoic acid chain. The presence of the δ-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, which can influence its reactivity and interactions. This compound is likely to exhibit both hydrophilic and hydrophobic characteristics due to the combination of the polar carboxylic acid group and the non-polar aromatic and aliphatic components. Its fluorine substitution may enhance lipophilicity and alter biological activity, making it of interest in medicinal chemistry and drug design. Additionally, the structural features suggest potential applications in organic synthesis and materials science. As with many organic compounds, its stability, solubility, and reactivity will depend on environmental conditions such as pH and temperature. Safety data and handling precautions should be consulted when working with this substance.
Formula:C12H13FO3
InChI:InChI=1S/C12H13FO3/c1-8-7-9(5-6-10(8)13)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)
InChI key:InChIKey=DTRLZILYDPUEQG-UHFFFAOYSA-N
SMILES:C(CCCC(O)=O)(=O)C1=CC(C)=C(F)C=C1
Synonyms:
  • 4-Fluoro-3-methyl-δ-oxobenzenepentanoic acid
  • Benzenepentanoic acid, 4-fluoro-3-methyl-δ-oxo-
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