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CAS 109175-09-9

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1H-Indole-3-carboxylic acid, 6-nitro-, methyl ester

Description:
1H-Indole-3-carboxylic acid, 6-nitro-, methyl ester, with the CAS number 109175-09-9, is a chemical 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 at the 3-position and a nitro group at the 6-position, along with a methyl ester group, which contributes to its reactivity and solubility properties. The presence of the nitro group typically enhances the compound's electrophilic character, making it useful in various chemical reactions. It is often utilized in organic synthesis and medicinal chemistry due to its potential biological activities, including antimicrobial and anticancer properties. The compound is generally soluble in organic solvents, and its stability can be influenced by environmental factors such as pH and temperature. As with many nitro-substituted compounds, it may exhibit specific safety and handling considerations due to its potential toxicity and reactivity.
Formula:C10H8N2O4
InChI:InChI=1S/C10H8N2O4/c1-16-10(13)8-5-11-9-4-6(12(14)15)2-3-7(8)9/h2-5,11H,1H3
InChI key:InChIKey=RUUDKWNUIUBVTH-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=2C(=CC(N(=O)=O)=CC2)NC1
Synonyms:
  • 1H-Indole-3-carboxylic acid, 6-nitro-, methyl ester
  • Methyl 6-nitro-1H-indole-3-carboxylate
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