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CAS 676348-40-6

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Benzoic acid, 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-

Description:
Benzoic acid, 3-[(4-chloro-1H-pyrazol-1-yl)methyl]- is a chemical compound characterized by its benzoic acid backbone, which is a carboxylic acid featuring a benzene ring. The presence of a 4-chloro-1H-pyrazol-1-yl group at the 3-position of the benzoic acid structure introduces unique properties, including potential biological activity and reactivity. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the aromatic ring. The chloro substituent may influence its reactivity and interaction with biological targets, making it of interest in medicinal chemistry. Additionally, the presence of the pyrazole moiety may contribute to its pharmacological properties, potentially enhancing its efficacy in various applications. As with many benzoic acid derivatives, it may also exhibit acid-base behavior, allowing it to participate in various chemical reactions, including esterification and amidation. Overall, this compound represents a blend of aromatic and heterocyclic chemistry, with potential implications in drug development and material science.
Formula:C11H9ClN2O2
InChI:InChI=1S/C11H9ClN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChI key:InChIKey=AOAWWPBKFRBPEP-UHFFFAOYSA-N
SMILES:C(C1=CC(C(O)=O)=CC=C1)N2N=CC(Cl)=C2
Synonyms:
  • Benzoic acid, 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-
  • 3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid
  • ART-CHEM-BB B000165
  • AKOS PAO-0083
  • 3-(4-CHLORO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
  • TIMTEC-BB SBB009155
  • AKOS B000165
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