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CAS 1159978-82-1

:

3-(4-Bromophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid

Description:
3-(4-Bromophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid is a chemical compound characterized by its unique isoxazole structure, which features a five-membered ring containing both nitrogen and oxygen atoms. The presence of a bromophenyl group and a trifluoromethyl group contributes to its distinctive chemical properties, including increased lipophilicity and potential biological activity. This compound is likely to exhibit acidic behavior due to the carboxylic acid functional group, which can donate protons in solution. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the isoxazole moiety is often associated with various biological activities. Additionally, the presence of halogen substituents may enhance its reactivity and influence its interaction with biological targets. Overall, this compound's unique combination of functional groups and structural features makes it a subject of interest for further research in both synthetic and medicinal chemistry.
Formula:C11H5BrF3NO3
InChI:InChI=1S/C11H5BrF3NO3/c12-6-3-1-5(2-4-6)8-7(10(17)18)9(19-16-8)11(13,14)15/h1-4H,(H,17,18)
InChI key:InChIKey=ITXIEESFOXYALY-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(=NOC1C(F)(F)F)C2=CC=C(Br)C=C2
Synonyms:
  • 4-Isoxazolecarboxylic acid, 3-(4-bromophenyl)-5-(trifluoromethyl)-
  • 3-(4-Bromophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid
  • 3-(4-Bromophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
  • 3-(4-Bromophenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid
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