CAS Registry Number: 3919-76-4
Name:

3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid

5-Methyl-3-(2',6'-dichlorophenyl)-4-isoxazolecarboxylic acid

Chemical Formula: C11H7Cl2NO3
Exact Mass: 270.98
Molecular Weight: 272.08
m/z: 270.98 (100.0%), 272.98 (64.6%), 271.98 (12.4%), 274.97 (10.2%), 273.98 (7.7%), 275.98 (1.3%)

InChI
InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
InChI Key
WQXUUMUOERZZAE-UHFFFAOYSA-N
Canonical SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O

Specification

98%

PCT Int. Appl. (2018), WO 2018039384 A1 20180301

Chemical Biology & Drug Design (2015), 86(4), 637-647.