4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene

4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene

Formula: C8H5F4NO3

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

IUPAC: 4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene

InChI: InChI=1S/C8H5F4NO3/c9-5-1-2-6(13(14)15)7(3-5)16-4-8(10,11)12/h1-3H,4H2

Composition: C (40.18%), H (2.11%), F (31.78%), N (5.86%), O (20.07%)

Molar Mass: 239.126

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.020555677
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	USOVRXNIZFSGEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.51
Topological Polar Surface Area	52.37
Polarizability	16.17
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H5F4NO3		Quote Only