CAS 773100-77-9

3-Carboxy-4-fluorobenzeneacetic acid

Description:

3-Carboxy-4-fluorobenzeneacetic acid, identified by its CAS number 773100-77-9, is an organic compound that features a benzene ring substituted with both a carboxylic acid group and a fluorine atom. This compound is characterized by its aromatic structure, which contributes to its chemical stability and reactivity. The presence of the carboxylic acid group (-COOH) imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. The fluorine atom enhances the compound's lipophilicity and can influence its biological activity, making it of interest in pharmaceutical applications. Additionally, the compound's solubility in polar solvents is influenced by the carboxylic acid group, while the fluorine substitution can affect its interaction with biological targets. Overall, 3-Carboxy-4-fluorobenzeneacetic acid is a versatile compound with potential applications in medicinal chemistry and materials science, owing to its unique structural features and functional groups.

Formula: C₉H₇FO₄

InChI: InChI=1S/C9H7FO4/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)

InChI key: InChIKey=DODAEUHFBJLKLM-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, 3-carboxy-4-fluoro-
• 3-Carboxy-4-fluorobenzeneacetic acid