2,4-dinitro-1H-imidazole

2,4-dinitro-1H-imidazole

CAS: 5213-49-0

Formula: C3H2N4O4

SMILES: [O-][N+](=O)C1=NC(=CN1)[N+]([O-])=O

IUPAC: 2,4-dinitro-1H-imidazole

InChI: InChI=1S/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)

Composition: C (22.80%), H (1.28%), N (35.44%), O (40.49%)

Molar Mass: 158.073

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	158.00760456
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FLDSOXFRYVOGFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.44
Topological Polar Surface Area	114.96
Polarizability	11.37
Ring Count	1
Rotatable Bond Count	2

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