3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester

CAS Registry Number®

517870-16-5

CAS Name

3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester

Molecular Formula

C11H8FNO3

Molecular Mass

221.18

Cite this Page

3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=517870-16-5 (retrieved 2024-12-02) (CAS RN: 517870-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H8FNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3

InChIKey

InChIKey=NBLMSLSUZWYTFT-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C=C(ON1)C2=CC=C(F)C=C2

Canonical SMILES

O=C(OC)C1=NOC(=C1)C=2C=CC(F)=CC2

Other Names for this Substance

  • 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester
  • Methyl 5-(4-fluorophenyl)isoxazole-3-carboxylate

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