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CAS 1246471-36-2

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1,1-Dimethylethyl 3-bromo-6-chloro-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-bromo-6-chloro-1H-indole-1-carboxylate is a chemical compound characterized by its complex structure, which includes an indole ring, a carboxylate group, and halogen substituents. The presence of the 1,1-dimethylethyl group, also known as a tert-butyl group, contributes to its steric bulk, influencing its reactivity and solubility. The bromine and chlorine atoms introduce significant electronegativity, which can affect the compound's chemical behavior, including its reactivity in nucleophilic substitution reactions. This compound may exhibit biological activity due to the indole moiety, which is often found in various natural products and pharmaceuticals. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. As with many halogenated compounds, it is essential to handle it with care due to potential toxicity and environmental impact. Further studies would be necessary to fully elucidate its applications and behavior in different chemical contexts.
Formula:C13H13BrClNO2
InChI:InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChI key:InChIKey=BZZPVBVOSNRGHB-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(Br)=C1)=CC=C(Cl)C2
Synonyms:
  • 1,1-Dimethylethyl 3-bromo-6-chloro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester
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