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CAS 313701-79-0

:

2-Chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Description:
2-Chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chloro group and a pyrrole derivative. The presence of the chloro substituent enhances its reactivity and may influence its biological activity. The pyrrole ring, with its nitrogen atom, contributes to the compound's potential for forming hydrogen bonds and participating in various chemical interactions. This compound is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to the hydrophobic nature of the aromatic and pyrrole components. Its structure suggests potential applications in pharmaceuticals or agrochemicals, particularly in the development of compounds with specific biological activities. The presence of both the carboxylic acid and the nitrogen-containing heterocycle may also impart unique properties, such as the ability to act as a ligand in coordination chemistry or as a precursor in synthetic pathways. Overall, this compound's unique structural features make it of interest in various fields of chemical research.
Formula:C13H12ClNO2
InChI:InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-11(13(16)17)12(14)7-10/h3-7H,1-2H3,(H,16,17)
InChI key:InChIKey=LNAUEAGSVLKUBO-UHFFFAOYSA-N
SMILES:CC=1N(C(C)=CC1)C2=CC(Cl)=C(C(O)=O)C=C2
Synonyms:
  • Benzoic acid, 2-chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)-
  • 2-Chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
  • 2-Chloro-4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid
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