CAS Registry Number: 70315-68-3

Name:

1H-​Indazole, 3-​bromo-​6-​nitro-
3-​Bromo-​6-​nitro-​1H-​indazole 

Chemical Formula: C7H4BrN3O2
Exact Mass: 240.95
Molecular Weight: 242.03
m/z: 240.95 (100.0%), 242.95 (97.8%), 241.95 (8.8%), 243.95 (7.5%), 243.94 (1.1%)
Elemental Analysis: C, 34.74; H, 1.67; Br, 33.01; N, 17.36; O, 13.22

InChI: InChI=1S/C7H4BrN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
InChIKey: JUKJZBGTZKOXPG-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Br

Specification

98%

1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
2. (2) Cohen-Fernandes, Pauline; Organic Magnetic Resonance 1982, V19(4), P225-7 CAPLUS
3. (3) Rakib, El Mostapha; Letters in Drug Design & Discovery 2007, V4(7), P467-470 CAPLUS
4. (4) Lohou, Elodie; Synthesis 2011, (16), P2651-2663 CAPLUS
5. (5) Wrzeciono, Urszula; Pharmazie 1979, V34(1), P20-2 CAPLUS
6. (6) Pozharskii, F. T.; Zhurnal Obshchei Khimii 1964, V34(8), P2777-8 CAPLUS