1-fluoro-3-nitro-2-(trifluoromethyl)benzene

1-fluoro-3-nitro-2-(trifluoromethyl)benzene

CAS: 1214342-08-1

Formula: C7H3F4NO2

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

IUPAC: 1-fluoro-3-nitro-2-(trifluoromethyl)benzene

InChI: InChI=1S/C7H3F4NO2/c8-4-2-1-3-5(12(13)14)6(4)7(9,10)11/h1-3H

Composition: C (40.21%), H (1.45%), F (36.34%), N (6.70%), O (15.30%)

Molar Mass: 209.1

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.009990993
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IQTQCANMBSHSNU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.57
Topological Polar Surface Area	43.14
Polarizability	13.61
Ring Count	1
Rotatable Bond Count	2

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