CAS Registry Number: 1353100-91-0

Name:

1H-​Pyrazole-​4-​carboxylic acid, 3-​bromo-​, ethyl ester

Chemical Formula: C6H7BrN2O2
Exact Mass: 217.97
Molecular Weight: 219.04
m/z: 217.97 (100.0%), 219.97 (97.7%), 218.97 (7.3%), 220.97 (6.5%)
Elemental Analysis: C, 32.90; H, 3.22; Br, 36.48; N, 12.79; O, 14.61

InChI: InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChIKey: HMONTLMXUZERMC-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NN=C1)Br

Specification

98%

PCT Int. Appl. (2013), WO 2013189904 A1 20131227.                                  

PCT Int. Appl. (2012), WO 2012056372 A1 20120503.