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

CAS Registry Number®

91182-87-5
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CAS Name

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

Molecular Formula

C11H8ClNO3

Molecular Mass

237.64

Cite this Page

3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=91182-87-5 (retrieved 2024-04-28) (CAS RN: 91182-87-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-218 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)

InChIKey

InChIKey=YFZLFMSGZBNUPJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

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