Molecular Structure of 8-Bromo-6-nitroimidazo[1,2-alpha]pyridine (CAS NO.957187-28-9):
Systematic Name: 8-Bromo-6-nitro-imidazo[1,2-alpha]pyridine
Molecular Formula: C7H4BrN3O2
Molecular Weight: 242.03
CAS Registry Number: 957187-28-9
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 1
Nominal Mass: 241
Average Mass: 242.0296
Monoisotopic Mass: 240.948681
Index of Refraction: 1.757
Molar Refractivity: 49.93 cm3
Molar Volume: 121.6 cm3
Surface Tension: 74.9 dyne/cm
Density: 1.98 g/cm3
SMILES: c1cn2cc(cc(c2n1)Br)[N+](=O)[O-]
InChI: InChI=1/C7H4BrN3O2/c8-6-3-5(11(12)13)4-10-2-1-9-7(6)10/h1-4H
InChIKey: RCACLYOLSQUCDP-UHFFFAOYAU
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