CAS Registry Number: 53857-57-1

Name:

1H-​Indazole, 5-​bromo-
5-​Bromo-​1H-​indazole; 5-​Bromoindazole 

Chemical Formula: C7H5BrN2
Exact Mass: 195.96
Molecular Weight: 197.03
m/z: 195.96 (100.0%), 197.96 (97.3%), 198.96 (8.1%), 196.97 (7.6%)
Elemental Analysis: C, 42.67; H, 2.56; Br, 40.55; N, 14.22

InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: STVHMYNPQCLUNJ-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Br)C=NN2

Specification

98%

1. (1) Crestey, Francois; Synthesis 2006, (20), P3506-3514 CAPLUS
2. (2) Slade, David J.; Journal of Organic Chemistry 2009, V74(16), P6331-6334 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Woods, Keith W.; Bioorganic & Medicinal Chemistry 2006, V14(20), P6832-6846 CAPLUS
5. (5) Lukin, Kirill; Journal of Organic Chemistry 2006, V71(21), P8166-8172 CAPLUS