CAS Registry Number: 1257296-40-4

Name:

1H-​Indazole-​1-​carboxylic acid, 3-​bromo-​, 1,​1-​dimethylethyl ester
1-​Boc-​3-​bromo-​1H-​indazole; tert-​Butyl 3-​bromo-​1H-​indazole-​1-​carboxylate 

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)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3
InChIKey: VQCLLOZSXYTLKF-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)Br

Specification

98%

PCT Int. Appl. (2012), WO 2012106995 A1 20120816.                                  

PCT Int. Appl. (2010), WO 2010138589 A1 20101202.