9H-Carbazole,1,6-dinitro- (3062-57-5)

The cas register number of 1,6-Dinitrocarbazole is 3062-57-5. It also can be called as 3,8-Dinitrocarbazole and the Systematic name about this chemical is 1,6-dinitro-9H-carbazole.

Physical properties about 1,6-Dinitrocarbazole are: storage temp: (1)ACD/LogP: 3.18 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.18 ; (4)ACD/LogD (pH 7.4): 3.18 ; (5)ACD/BCF (pH 5.5): 153.76; (6)ACD/BCF (pH 7.4): 153.76; (7)ACD/KOC (pH 5.5): 1279.25; (8)ACD/KOC (pH 7.4): 1279.25; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 96.57Ų; (13)Index of Refraction: 1.819; (14)Molar Refractivity: 69.46 cm³; (15)Molar Volume: 159.6 cm³; (16)Surface Tension: 85.4 dyne/cm; (17)Density: 1.61 g/cm³; (18)Flash Point: 278.7 °C; (19)Enthalpy of Vaporization: 78.35 kJ/mol; (20)Boiling Point: 537.2 °C at 760 mmHg; (21)Vapour Pressure: 4.54E-11 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: [O-][N+](=O)c3c2c(c1cc(ccc1n2)[N+]([O-])=O)ccc3
2.InChI: InChI=1/C12H7N3O4/c16-14(17)7-4-5-10-9(6-7)8-2-1-3-11(15(18)19)12(8)13-10/h1-6,13H 
3.InChIKey: MEFATMTVUAOEJH-UHFFFAOYAV
4.Std. InChI: InChI=1S/C12H7N3O4/c16-14(17)7-4-5-10-9(6-7)8-2-1-3-11(15(18)19)12(8)13-10/h1-6,13H.