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CAS 959239-01-1

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Methyl 7-bromo-1H-indole-3-carboxylate

Description:
Methyl 7-bromo-1H-indole-3-carboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of a bromine atom at the 7-position of the indole ring introduces notable reactivity and influences its chemical properties, such as its electrophilicity and potential for substitution reactions. The carboxylate group at the 3-position, esterified with a methyl group, enhances its solubility in organic solvents and can participate in various chemical reactions, including esterification and nucleophilic substitutions. This compound is of interest in medicinal chemistry and organic synthesis due to its potential biological activities and utility as a building block in the synthesis of more complex molecules. Its molecular structure contributes to its unique physical and chemical properties, making it a valuable compound for research and development in various fields, including pharmaceuticals and agrochemicals.
Formula:C10H8BrNO2
InChI:InChI=1S/C10H8BrNO2/c1-14-10(13)7-5-12-9-6(7)3-2-4-8(9)11/h2-5,12H,1H3
InChI key:InChIKey=HIJADRCKUDCXPJ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=2C(NC1)=C(Br)C=CC2
Synonyms:
  • 1H-Indole-3-carboxylic acid, 7-bromo-, methyl ester
  • Methyl 7-bromo-1H-indole-3-carboxylate
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