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CAS 473416-06-7

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2-Methyl-2-propanyl 3-bromo-5-cyano-1H-indazole-1-carboxylate

Description:
2-Methyl-2-propanyl 3-bromo-5-cyano-1H-indazole-1-carboxylate, identified by its CAS number 473416-06-7, is a chemical compound that belongs to the indazole class of compounds. This substance features a complex structure characterized by the presence of a bromine atom, a cyano group, and an ester functional group. The indazole core contributes to its potential biological activity, making it of interest in medicinal chemistry. The presence of the cyano group may enhance its reactivity and influence its interaction with biological targets. Additionally, the branched alkyl group (2-methyl-2-propanyl) may affect its solubility and lipophilicity, which are important factors in pharmacokinetics. The compound's unique combination of functional groups suggests potential applications in drug development, particularly in the search for new therapeutic agents. However, specific properties such as melting point, boiling point, and solubility would require empirical data for a comprehensive understanding of its behavior in various environments.
Formula:C13H12BrN3O2
InChI:InChI=1S/C13H12BrN3O2/c1-13(2,3)19-12(18)17-10-5-4-8(7-15)6-9(10)11(14)16-17/h4-6H,1-3H3
SMILES:CC(C)(C)OC(=O)n1c2ccc(cc2c(Br)n1)C#N
Synonyms:
  • 1H-Indazole-1-carboxylic acid, 3-bromo-5-cyano-, 1,1-dimethylethyl ester
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