Benzene,1-fluoro-2,3-dimethyl-4-nitro- (1736-87-4)

The 3-Fluoro-6-nitro-1,2-dimethylbenzene, with the cas registry number 1736-87-4, has the systematic name of Benzene, 1-fluoro-2,3-dimethyl-4-nitro-. And the molecular fomula of the chemical is C₈H₈FNO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 42.44 cm³; (11)Molar Volume: 138 cm³; (12)Polarizability: 16.82×10^-24cm³; (13)Surface Tension: 39.1 dyne/cm; (14)Density: 1.225 g/cm³; (15)Flash Point: 105.2 °C; (16)Enthalpy of Vaporization: 46.78 kJ/mol; (17)Boiling Point: 250.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0346 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(ccc(F)c1C)[N+]([O-])=O
(2)InChI: InChI=1/C8H8FNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3
(3)InChIKey: GLDMIZKOJPVEIV-UHFFFAOYAA