CAS Registry Number: 13745-17-0
Name:

4-bromo-1H-pyrazole-3-carboxylic acid

4-bromopyrazole-3-carboxylic acid

Chemical Formula: C4H3BrN2O2
Exact Mass: 189.94
Molecular Weight: 190.98
m/z: 189.94 (100.0%), 191.94 (97.8%), 190.94 (4.4%), 192.94 (4.3%)

InChI
InChI=1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChI Key
QISOBCMNUJQOJU-UHFFFAOYSA-N
Canonical SMILES
C1=NNC(=C1Br)C(=O)O

Specification

98%

PCT Int. Appl. (2017), WO 2017100591 A1 20170615

Chemistry of Heterocyclic Compounds (New York, NY, United States) (2014), 49(11), 1599-1610