CAS 890097-96-8

3-Fluoro-4-methyl-α-oxobenzeneacetic acid

Description:

3-Fluoro-4-methyl-α-oxobenzeneacetic acid, identified by its CAS number 890097-96-8, is an organic compound characterized by the presence of a fluorine atom, a methyl group, and an α-oxobenzeneacetic acid moiety. This compound features a benzene ring substituted with a fluorine atom at the 3-position and a methyl group at the 4-position, contributing to its unique chemical properties. The α-oxo group indicates the presence of a carbonyl functional group adjacent to the carboxylic acid, which can enhance its reactivity and potential applications in organic synthesis. The presence of these functional groups suggests that the compound may exhibit acidic properties due to the carboxylic acid, while the fluorine substitution can influence its polarity and solubility in various solvents. Additionally, the compound may have implications in medicinal chemistry, as fluorinated compounds often exhibit altered biological activity. Overall, 3-Fluoro-4-methyl-α-oxobenzeneacetic acid is a compound of interest for further research in both synthetic and pharmaceutical chemistry.

Formula: C₉H₇FO₃

InChI: InChI=1S/C9H7FO3/c1-5-2-3-6(4-7(5)10)8(11)9(12)13/h2-4H,1H3,(H,12,13)

InChI key: InChIKey=ABTHEXLLIIORDF-UHFFFAOYSA-N

SMILES: C(C(O)=O)(=O)C1=CC(F)=C(C)C=C1

Synonyms:

• 2-(3-Fluoro-4-methylphenyl)-2-oxoacetic acid
• Benzeneacetic acid, 3-fluoro-4-methyl-α-oxo-
• 3-Fluoro-4-methyl-α-oxobenzeneacetic acid