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CAS 20725-34-2

:

1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Description:
1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a bromophenyl group, which contributes to its aromatic properties and potential reactivity. The presence of a carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The methyl group attached to the triazole ring can influence the compound's steric and electronic properties, potentially affecting its biological activity and interactions. This compound may be of interest in pharmaceutical research due to its structural features, which can be relevant in the development of agrochemicals or medicinal agents. Additionally, the bromine substituent can enhance the compound's lipophilicity and may play a role in its binding affinity to biological targets. Overall, this compound's unique structure and functional groups make it a subject of interest in various chemical and biological applications.
Formula:C10H8BrN3O2
InChI:InChI=1S/C10H8BrN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)
InChI key:InChIKey=FPTYOFQUENAVEO-UHFFFAOYSA-N
SMILES:CC=1N(N=NC1C(O)=O)C2=CC=C(Br)C=C2
Synonyms:
  • 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-bromophenyl)-5-methyl-
  • 1H-1,2,3-Triazole-4-carboxylic acid, 1-(p-bromophenyl)-5-methyl-
  • 1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
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