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

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

CAS: 87014-28-6

Formula: C8H6F3NO3

SMILES: [O-][N+](=O)C1=CC=CC=C1OCC(F)(F)F

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

InChI: InChI=1S/C8H6F3NO3/c9-8(10,11)5-15-7-4-2-1-3-6(7)12(13)14/h1-4H,5H2

Composition: C (43.45%), H (2.73%), F (25.77%), N (6.33%), O (21.70%)

Molar Mass: 221.135

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.029977546
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DLJUDLUVULSXDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.29
Topological Polar Surface Area	52.37
Polarizability	16.22
Ring Count	1
Rotatable Bond Count	4

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