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CAS 34114-12-0

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4-(1H-Tetrazol-5-yl)benzoic acid

Description:
4-(1H-Tetrazol-5-yl)benzoic acid is an organic compound characterized by the presence of both a benzoic acid moiety and a tetrazole ring. The tetrazole group, which consists of four nitrogen atoms in a five-membered ring, contributes to the compound's unique chemical properties, including its potential as a bioisostere for carboxylic acids in medicinal chemistry. This compound typically exhibits good solubility in polar solvents due to the presence of the carboxylic acid functional group, which can engage in hydrogen bonding. Its structure allows for various interactions, making it a candidate for applications in pharmaceuticals, particularly in the development of drugs targeting specific biological pathways. Additionally, the presence of the tetrazole ring can enhance the compound's stability and reactivity, making it useful in synthetic chemistry. Overall, 4-(1H-Tetrazol-5-yl)benzoic acid is notable for its dual functional groups, which provide versatility in chemical reactivity and potential applications in various fields, including medicinal chemistry and materials science.
Formula:C8H4N4O2
InChI:InChI=1/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H/p-2
SMILES:c1cc(=C([O-])[O-])ccc1=C1N=NN=N1
Synonyms:
  • benzoic acid, 4-(1H-tetrazol-5-yl)-
  • 4-(2H-tetrazol-5-yl)benzoic acid
  • [4-(5H-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanediolate
  • 5-(4-Carboxyphenyl)Tetrazole
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