2-methyl-4-nitro-1H-imidazole

2-methyl-4-nitro-1H-imidazole

CAS: 696-23-1

Formula: C4H5N3O2

SMILES: CC1=NC(=CN1)[N+]([O-])=O

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

InChI: InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)

Composition: C (37.80%), H (3.97%), N (33.06%), O (25.17%)

Molar Mass: 127.103

Atom Count: 14

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	127.038176413
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FFYTTYVSDVWNMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.09
Topological Polar Surface Area	71.82
Polarizability	10.93
Ring Count	1
Rotatable Bond Count	1

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