3-bromo-4-nitro-1H-pyrazole

3-bromo-4-nitro-1H-pyrazole

CAS: 784193-37-9

Formula: C3H2BrN3O2

SMILES: [O-][N+](=O)C1=CNN=C1Br

IUPAC: 3-bromo-4-nitro-1H-pyrazole

InChI: InChI=1S/C3H2BrN3O2/c4-3-2(7(8)9)1-5-6-3/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	XAURTANBYDETIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.53
Topological Polar Surface Area	71.82
Polarizability	12.42
Ring Count	1
Rotatable Bond Count	1

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