CAS Registry Number: 877264-77-2

Name:

1H-​Indazole-​1-​carboxylic acid, 6-​bromo-​, 1,​1-​dimethylethyl ester

Chemical Formula: C12H13BrN2O2
Exact Mass: 296.02
Molecular Weight: 297.15
m/z: 296.02 (100.0%), 298.01 (97.3%), 297.02 (13.2%), 299.02 (12.9%), 298.02 (1.3%), 300.02 (1.2%)
Elemental Analysis: C, 48.50; H, 4.41; Br, 26.89; N, 9.43; O, 10.77

InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,1-3H3
InChIKey: XAKCDPNWVLWUEP-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1

Specification

98%

PCT Int. Appl. (2014), WO 2014055955 A1 20140410.

PCT Int. Appl. (2013), WO 2013028445 A1 20130228.