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CAS 801315-75-3

:

1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester

Description:
1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester, identified by its CAS number 801315-75-3, is a chemical compound characterized by its indazole core structure, which is a five-membered aromatic ring containing two nitrogen atoms. This compound features a carboxylic acid functional group that is esterified with a tert-butyl group, contributing to its stability and solubility in organic solvents. The presence of a nitro group at the 4-position of the indazole ring enhances its reactivity and may influence its biological activity. Typically, compounds of this nature are of interest in medicinal chemistry and may exhibit various pharmacological properties. The molecular structure suggests potential applications in drug development, particularly in areas targeting specific biological pathways. Additionally, the compound's stability and solubility characteristics make it suitable for various synthetic applications in organic chemistry. As with many nitro-substituted compounds, care should be taken regarding their handling and storage due to potential reactivity and toxicity.
Formula:C12H13N3O4
InChI:InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)14-9-5-4-6-10(15(17)18)8(9)7-13-14/h4-7H,1-3H3
InChI key:InChIKey=XXEBQBAOQGKRMP-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=C(N(=O)=O)C=CC2)C=N1
Synonyms:
  • tert-Butyl 4-nitro-1H-indazole-1-carboxylate
  • 1,1-Dimethylethyl 4-nitro-1H-indazole-1-carboxylate
  • 1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester
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