CAS 1239646-78-6

α-Amino-4-chloro-2-fluorobenzeneacetic acid

Description:

α-Amino-4-chloro-2-fluorobenzeneacetic acid, with the CAS number 1239646-78-6, is an organic compound characterized by the presence of an amino group, a carboxylic acid group, and halogen substituents on a benzene ring. This compound features a fluorine atom at the 2-position and a chlorine atom at the 4-position of the aromatic ring, contributing to its unique reactivity and potential biological activity. The amino group imparts basic properties, while the carboxylic acid group provides acidic characteristics, making it a zwitterionic compound under certain pH conditions. The presence of halogens can influence the compound's solubility, stability, and interaction with biological systems. Such compounds are often of interest in medicinal chemistry due to their potential as pharmaceutical agents, particularly in the development of drugs targeting specific biological pathways. Additionally, the structural features of α-amino-4-chloro-2-fluorobenzeneacetic acid may allow for various synthetic modifications, enhancing its utility in research and application.

Formula: C₈H₇ClFNO₂

InChI: InChI=1S/C8H7ClFNO2/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)

InChI key: InChIKey=ULKCVOMCHMELKW-UHFFFAOYSA-N

SMILES: C(C(O)=O)(N)C1=C(F)C=C(Cl)C=C1

Synonyms:

• α-Amino-4-chloro-2-fluorobenzeneacetic acid
• Benzeneacetic acid, α-amino-4-chloro-2-fluoro-