The 2-Iodo-4-methylimidazole, with the cas registry number 73746-43-7, has the systematic name of 2-iodo-4-methyl-1H-imidazole. The molecular formula of the chemical is C4H5IN2. And it belongs to the product category of Imidaxoles.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.656; (8)Molar Refractivity: 36.5 cm3; (9)Molar Volume: 99.3 cm3; (10)Polarizability: 14.47×10-24cm3; (11)Surface Tension: 58.1 dyne/cm; (12)Density: 2.094 g/cm3; (13)Flash Point: 139.2 °C; (14)Enthalpy of Vaporization: 54.72 kJ/mol; (15)Boiling Point: 306.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000762 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ncc(n1)C
(2)InChI: InChI=1/C4H5IN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
(3)InChIKey: MKYIDOKPUHVHJL-UHFFFAOYAS
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