5-Isoxazolecarboxylic acid, 3-phenyl-4-(trifluoromethyl)-, ethyl ester

CAS Registry Number®

1236188-81-0
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CAS Name

5-Isoxazolecarboxylic acid, 3-phenyl-4-(trifluoromethyl)-, ethyl ester

Molecular Formula

C13H10F3NO3

Molecular Mass

285.22

Cite this Page

5-Isoxazolecarboxylic acid, 3-phenyl-4-(trifluoromethyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1236188-81-0 (retrieved 2024-08-25) (CAS RN: 1236188-81-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H10F3NO3/c1-2-19-12(18)11-9(13(14,15)16)10(17-20-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

InChIKey=LUZZLRLRKJBLSQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C=1ON=C(C=2C=CC=CC2)C1C(F)(F)F

Other Names for this Substance

  • 5-Isoxazolecarboxylic acid, 3-phenyl-4-(trifluoromethyl)-, ethyl ester
  • Ethyl 3-phenyl-4-(trifluoromethyl)isoxazole-5-carboxylate