5-(4-Chlorophenyl)-3-isoxazolepropanoic acid

CAS Registry Number®

870704-00-0

CAS Name

5-(4-Chlorophenyl)-3-isoxazolepropanoic acid

Molecular Formula

C12H10ClNO3

Molecular Mass

251.67

Cite this Page

5-(4-Chlorophenyl)-3-isoxazolepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=870704-00-0 (retrieved 2024-11-21) (CAS RN: 870704-00-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10ClNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)

InChIKey

InChIKey=RHKHSBMLUYKYIZ-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C=1C=C(ON1)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(O)CCC1=NOC(=C1)C=2C=CC(Cl)=CC2

Other Names for this Substance

  • 3-Isoxazolepropanoic acid, 5-(4-chlorophenyl)-
  • 5-(4-Chlorophenyl)-3-isoxazolepropanoic acid
  • 3-(5-(4-Chlorophenyl)isoxazol-3-yl)propanoic acid