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CAS 16382-20-0

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1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester

Description:
1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester, with the CAS number 16382-20-0, is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of chlorine and a methyl group at specific positions on the indole ring influences its chemical behavior, potentially affecting its biological activity and interactions. Typically, such compounds may exhibit properties relevant to pharmaceuticals, agrochemicals, or materials science. The esterification of the carboxylic acid enhances its lipophilicity, which can improve its absorption and distribution in biological systems. Additionally, the indole framework is known for its occurrence in various natural products and its significance in medicinal chemistry, making derivatives like this one of interest for research and development in drug discovery and synthesis.
Formula:C12H12ClNO2
InChI:InChI=1S/C12H12ClNO2/c1-3-16-12(15)11-7(2)9-6-8(13)4-5-10(9)14-11/h4-6,14H,3H2,1-2H3
InChI key:InChIKey=KERASJPARWIHBU-UHFFFAOYSA-N
SMILES:CC=1C=2C(NC1C(OCC)=O)=CC=C(Cl)C2
Synonyms:
  • Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
  • Ethyl 5-chloro-3-methyl-1H-indole-2-carboxylate
  • 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
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