1-(difluoromethoxy)-4-nitro-2-(trifluoromethyl)benzene

1-(difluoromethoxy)-4-nitro-2-(trifluoromethyl)benzene

CAS: 933674-83-0

Formula: C8H4F5NO3

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

IUPAC: 1-(difluoromethoxy)-4-nitro-2-(trifluoromethyl)benzene

InChI: InChI=1S/C8H4F5NO3/c9-7(10)17-6-2-1-4(14(15)16)3-5(6)8(11,12)13/h1-3,7H

Composition: C (37.37%), H (1.57%), F (36.95%), N (5.45%), O (18.67%)

Molar Mass: 257.116

Atom Count: 21

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.011133808
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NNSOMFYZAXRBJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.82
Topological Polar Surface Area	52.37
Polarizability	16.2
Ring Count	1
Rotatable Bond Count	4

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