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CAS 1305320-58-4

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1,1-Dimethylethyl 6-bromo-4-fluoro-1H-indazole-1-carboxylate

Description:
1,1-Dimethylethyl 6-bromo-4-fluoro-1H-indazole-1-carboxylate is a chemical compound characterized by its unique structural features, which include an indazole core substituted with a bromine atom at the 6-position and a fluorine atom at the 4-position. The presence of the 1,1-dimethylethyl group, also known as a tert-butyl group, contributes to its steric bulk and can influence its reactivity and solubility. The carboxylate functional group indicates that the compound can participate in various chemical reactions, including esterification and nucleophilic substitutions. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its molecular structure suggests potential interactions with biological targets, which could be explored in pharmacological studies. Additionally, the presence of halogens (bromine and fluorine) often enhances the lipophilicity and metabolic stability of organic compounds, which is a valuable characteristic in the design of pharmaceuticals. Overall, this compound's unique features make it a subject of interest in both synthetic and applied chemistry.
Formula:C12H12BrFN2O2
InChI:InChI=1S/C12H12BrFN2O2/c1-12(2,3)18-11(17)16-10-5-7(13)4-9(14)8(10)6-15-16/h4-6H,1-3H3
InChI key:InChIKey=BSUSGHUAEATEBZ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=N1)=C(F)C=C(Br)C2
Synonyms:
  • 1,1-Dimethylethyl 6-bromo-4-fluoro-1H-indazole-1-carboxylate
  • 1H-Indazole-1-carboxylic acid, 6-bromo-4-fluoro-, 1,1-dimethylethyl ester
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