CAS Registry Number: 651780-02-8

Name:

1H-​Indazole-​1-​carboxylic acid, 5-​bromo-​, 1,​1-​dimethylethyl ester
1,​1-​Dimethylethyl 5-​bromo-​1H-​indazole-​1-​carboxylate; 1-​(tert-​Butoxycarbonyl)​-​5-​bromoindazole; 5-​Bromoindazole-​1-​carboxylic acid tert-​butyl ester; tert-​Butyl 5-​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)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,1-3H3
InChIKey: CAQGDWLRIQCXSP-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C=N1

Specification

98%

1. (1) Slade, David J.; Journal of Organic Chemistry 2009, V74(16), P6331-6334 CAPLUS
2. (2) Furuya, Takeru; Organic Letters 2009, V11(13), P2860-2863 CAPLUS