Quinoline,8-fluoro-5-nitro- (94832-39-0)

The 8-Fluoro-5-nitroquinoline, with the cas registry number 94832-39-0, is also called Quinoline, 8-fluoro-5-nitro-. And the molecular formula of the chemical is C₉H₅FN₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.95; (6)ACD/BCF (pH 7.4): 12.95; (7)ACD/KOC (pH 5.5): 217.63; (8)ACD/KOC (pH 7.4): 217.63; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 48.72 cm³; (15)Molar Volume: 132.8 cm³; (16)Polarizability: 19.31×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.446 g/cm³; (19)Flash Point: 153.2 °C; (20)Enthalpy of Vaporization: 54.95 kJ/mol; (21)Boiling Point: 329.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000335 mmHg at 25°C.
      
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(F)c2ncccc12
(2)InChI: InChI=1/C9H5FN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
(3)InChIKey: WOSYAMNMWPZLGF-UHFFFAOYAC