2-bromo-4-nitro-1H-imidazole

2-bromo-4-nitro-1H-imidazole

CAS: 65902-59-2

Formula: C3H2BrN3O2

SMILES: [O-][N+](=O)C1=CNC(Br)=N1

IUPAC: 2-bromo-4-nitro-1H-imidazole

InChI: InChI=1S/C3H2BrN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)

Composition: C (18.77%), H (1.05%), Br (41.62%), N (21.89%), O (16.67%)

Molar Mass: 191.972

Atom Count: 11

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.933039
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UWRJWMLKEHRGOH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.27
Topological Polar Surface Area	71.82
Polarizability	12.46
Ring Count	1
Rotatable Bond Count	1

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