Benzenamine,2-iodo-5-nitro- (5459-50-7)

The 2-Iodo-5-nitroaniline is an organic compound with the formula C₆H₅IN₂O₂. The IUPAC name of this chemical is 2-iodo-5-nitroaniline. With the CAS registry number 5459-50-7, it is also named as benzenamine, 2-iodo-5-nitro-.

Physical properties about 2-Iodo-5-nitroaniline are: (1)ACD/LogP: 2.72 ; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 49.06 Å²; (6)Index of Refraction: 1.726; (7)Molar Refractivity: 49.94 cm³; (8)Molar Volume: 125.6 cm³; (9)Polarizability: 19.79×10^-24cm³; (10)Surface Tension: 70.6 dyne/cm; (11)Density: 2.101 g/cm³; (12)Flash Point: 173.4 °C; (13)Enthalpy of Vaporization: 60.91 kJ/mol; (14)Boiling Point: 363.1 °C at 760 mmHg; (15)Vapour Pressure: 1.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc([N+]([O-])=O)cc1N
(2)InChI: InChI=1/C6H5IN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
(3)InChIKey: VKQOHFHGWCXKOA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5IN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
(5)Std. InChIKey: VKQOHFHGWCXKOA-UHFFFAOYSA-N