1-nitro-3,5-bis(trifluoromethyl)benzene

1-nitro-3,5-bis(trifluoromethyl)benzene

CAS: 328-75-6

Formula: C8H3F6NO2

SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: 1-nitro-3,5-bis(trifluoromethyl)benzene

InChI: InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H

Composition: C (37.08%), H (1.17%), F (43.99%), N (5.41%), O (12.35%)

Molar Mass: 259.107

Atom Count: 20

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.006797319
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GMUWJDVVXLBMEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.33
Topological Polar Surface Area	43.14
Polarizability	15.42
Ring Count	1
Rotatable Bond Count	3

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