CAS 105908-44-9

4-Chloro-2,7-dimethyl-1H-indole-3-acetic acid

Description:

4-Chloro-2,7-dimethyl-1H-indole-3-acetic acid, with the CAS number 105908-44-9, is a synthetic compound that belongs to the class of indole derivatives. This substance is characterized by its indole core, which is a bicyclic structure consisting of a benzene ring fused to a pyrrole ring. The presence of a chloro group at the 4-position and two methyl groups at the 2 and 7 positions contributes to its unique chemical properties and reactivity. The carboxylic acid functional group at the 3-position is significant for its potential biological activity, particularly in plant growth regulation, as it may mimic natural auxins. This compound is often studied for its role in agricultural applications and its effects on plant physiology. Additionally, its structural features may influence its solubility, stability, and interaction with biological systems. Overall, 4-Chloro-2,7-dimethyl-1H-indole-3-acetic acid is of interest in both synthetic organic chemistry and agricultural science.

Formula: C₁₂H₁₂ClNO₂

InChI: InChI=1S/C12H12ClNO2/c1-6-3-4-9(13)11-8(5-10(15)16)7(2)14-12(6)11/h3-4,14H,5H2,1-2H3,(H,15,16)

InChI key: InChIKey=DPRNFHNVLFJYDF-UHFFFAOYSA-N

SMILES: C(C(O)=O)C=1C=2C(NC1C)=C(C)C=CC2Cl

Synonyms:

• (4-Chloro-2,7-dimethyl-indol-3-yl)-acetic acid
• 1H-Indole-3-acetic acid, 4-chloro-2,7-dimethyl-
• Indole-3-acetic acid, 4-chloro-2,7-dimethyl-
• 4-Chloro-2,7-dimethyl-1H-indole-3-acetic acid
• (4-Chloro-2,7-dimethyl-1H-indol-3-yl)acetic acid