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CAS 162848-16-0

:

4-(1H-1,2,4-triazol-1-yl)benzoic acid

Description:
4-(1H-1,2,4-triazol-1-yl)benzoic acid, with the CAS number 162848-16-0, is an organic compound characterized by its triazole and benzoic acid functional groups. This compound features a triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms, and a benzoic acid moiety, which consists of a benzene ring attached to a carboxylic acid group. The presence of the triazole ring imparts unique properties, such as potential biological activity and the ability to form coordination complexes with metal ions. The carboxylic acid group contributes to its acidity and solubility in polar solvents. This compound is of interest in various fields, including medicinal chemistry and materials science, due to its potential applications in drug development and as a ligand in coordination chemistry. Its structural characteristics may also influence its reactivity and interactions with other chemical species, making it a subject of study for researchers exploring new therapeutic agents or functional materials.
Formula:C9H6N3O2
InChI:InChI=1/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)/p-1
SMILES:c1cc(ccc1C(=O)[O-])n1cncn1
Synonyms:
  • 4-(1H-1,2,4-triazol-1-yl)benzoate
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