CAS Registry Number: 870704-27-1

Name:

4-​Isoxazolecarboxylic acid, 5-​(chloromethyl)​-
5-​(Chloromethyl)​isoxazole-​4-​carboxylic acid 

Chemical Formula: C5H4ClNO3
Exact Mass: 160.99
Molecular Weight: 161.54
m/z: 160.99 (100.0%), 162.99 (32.7%), 161.99 (5.9%), 163.99 (1.8%)

InChI: InChI=1S/C5H4ClNO3/c6-1-4-3(5(8)9)2-7-10-4/h2H,1H2,(H,8,9)
InChIKey: IENDPQHJPZEULX-UHFFFAOYSA-N
Canonical SMILES : C1=NOC(=C1C(=O)O)CCl

Specification

98%

1. (1) Plant, Andrew; Journal of Organic Chemistry 2008, V73(10), P3714-3724 CAPLUS