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CAS 877264-77-2

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1H-Indazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester

Description:
1H-Indazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester is a chemical compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a carboxylic acid functional group indicates that it can participate in various chemical reactions, such as esterification and decarboxylation. The compound is further modified by the presence of a bromine atom at the 6-position, which can influence its reactivity and biological activity. The tert-butyl ester group (1,1-dimethylethyl ester) enhances the lipophilicity of the molecule, potentially affecting its solubility and permeability in biological systems. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its CAS number, 877264-77-2, allows for easy identification and retrieval of information regarding its synthesis, applications, and safety data. Overall, this compound represents a unique structure with potential applications in drug development and chemical research.
Formula:C12H13BrN2O2
InChI:InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,1-3H3
InChI key:XAKCDPNWVLWUEP-UHFFFAOYSA-N
SMILES:CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1
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