Ethyl 3-(4-fluorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate

CAS Registry Number®

1159978-87-6
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CAS Name

Ethyl 3-(4-fluorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate

Molecular Formula

C13H9F4NO3

Molecular Mass

303.21

Cite this Page

Ethyl 3-(4-fluorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1159978-87-6 (retrieved 2024-08-14) (CAS RN: 1159978-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H9F4NO3/c1-2-20-12(19)9-10(7-3-5-8(14)6-4-7)18-21-11(9)13(15,16)17/h3-6H,2H2,1H3

InChIKey

InChIKey=LVKUXONBRAPLHK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester
  • Ethyl 3-(4-fluorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate