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

CAS Registry Number®

1159978-81-0
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CAS Name

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

Molecular Formula

C11H5ClF3NO3

Molecular Mass

291.61

Cite this Page

3-(4-Chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1159978-81-0 (retrieved 2024-08-07) (CAS RN: 1159978-81-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H5ClF3NO3/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)

InChIKey

InChIKey=ZJHAYVJVAXHPHX-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C(=NOC1C(F)(F)F)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(O)C=1C(=NOC1C(F)(F)F)C=2C=CC(Cl)=CC2

Other Names for this Substance

  • 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-(trifluoromethyl)-
  • 3-(4-Chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid