4-nitro-3-(trifluoromethyl)-1H-pyrazole

4-nitro-3-(trifluoromethyl)-1H-pyrazole

CAS: 1046462-99-0

Formula: C4H2F3N3O2

SMILES: [O-][N+](=O)C1=CNN=C1C(F)(F)F

IUPAC: 4-nitro-3-(trifluoromethyl)-1H-pyrazole

InChI: InChI=1S/C4H2F3N3O2/c5-4(6,7)3-2(10(11)12)1-8-9-3/h1H,(H,8,9)

Composition: C (26.53%), H (1.11%), F (31.48%), N (23.21%), O (17.67%)

Molar Mass: 181.074

Atom Count: 14

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.009910805
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FFTRSILXQBIOTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.67
Topological Polar Surface Area	71.82
Polarizability	10.91
Ring Count	1
Rotatable Bond Count	2

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