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CAS 1609406-79-2

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Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1)

Description:
Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1) is a chemical compound characterized by the presence of a benzoic acid moiety and a 1H-1,2,4-triazole ring. This compound typically exhibits properties associated with both its acidic and heterocyclic components. The benzoic acid part contributes to its acidic nature, allowing it to participate in acid-base reactions, while the triazole ring can engage in hydrogen bonding and coordination with metal ions, enhancing its potential applications in various fields, including pharmaceuticals and agrochemicals. The hydrate form indicates that the compound contains water molecules in its structure, which can influence its solubility and stability. Generally, such compounds may exhibit biological activity, making them of interest in medicinal chemistry. The presence of the triazole ring often suggests potential antifungal or antimicrobial properties, as triazoles are known for their efficacy in these areas. Overall, this compound's unique structural features contribute to its diverse chemical behavior and potential applications.
Formula:C9H7N3O2·H2O
InChI:InChI=1S/C9H7N3O2.H2O/c13-9(14)7-3-1-2-6(4-7)8-10-5-11-12-8;/h1-5H,(H,13,14)(H,10,11,12);1H2
InChI key:InChIKey=PLJKZWDSXXOVQQ-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(C=CC1)C=2NC=NN2.O
Synonyms:
  • Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1)
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