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CAS 163720-44-3

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5-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID

Description:
5-(3-(Trifluoromethyl)phenyl)-1,2,4-oxadiazole-3-carboxylic acid is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. The presence of a trifluoromethyl group (-CF3) on the phenyl ring enhances the compound's lipophilicity and can influence its biological activity. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many heterocyclic compounds. The carboxylic acid functional group (-COOH) contributes to its acidity and potential reactivity, making it a candidate for various chemical reactions, including esterification and amidation. Additionally, the unique combination of functional groups may impart specific pharmacological properties, making it of interest in medicinal chemistry. Overall, this compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or materials science, depending on its reactivity and biological activity.
Formula:C10H5F3N2O3
InChI:InChI=1S/C10H5F3N2O3/c11-10(12,13)6-3-1-2-5(4-6)8-14-7(9(16)17)15-18-8/h1-4H,(H,16,17)
InChI key:InChIKey=OBENNEOSZAZLKA-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1N=C(ON1)C2=CC(C(F)(F)F)=CC=C2
Synonyms:
  • 1,2,4-Oxadiazole-3-carboxylic acid, 5-[3-(trifluoromethyl)phenyl]-
  • 5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid
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