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 acidMolecular Formula
C11H8ClNO3Molecular Mass
237.64Cite 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/detail?cas_rn=91182-87-5 (retrieved ) (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