111380-08-6

The 1H-Imidazole,1-methyl-5-nitroso-4-phenyl-, with the CAS registry number 111380-08-6, is also known as 1-Methyl-5-nitroso-4-phenyl-1H-imidazole. This chemical's molecular formula is C₁₀H₉N₃O and molecular weight is 187.198. What's more, its IUPAC name is 1-Methyl-5-nitroso-4-phenylimidazole. Its classification code is Mutation Data.

Physical properties about 1H-Imidazole,1-methyl-5-nitroso-4-phenyl-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.16; (6)ACD/BCF (pH 7.4): 25.16; (7)ACD/KOC (pH 5.5): 350.16; (8)ACD/KOC (pH 7.4): 350.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.25 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 54.26 cm³; (15)Molar Volume: 153.1 cm³; (16)Surface Tension: 47.7 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 216.6 °C; (19)Enthalpy of Vaporization: 66.39 kJ/mol; (20)Boiling Point: 434.5 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Nc1c(ncn1C)c2ccccc2
(2) InChI: InChI=1/C10H9N3O/c1-13-7-11-9(10(13)12-14)8-5-3-2-4-6-8/h2-7H,1H3
(3) InChIKey: GFYCENKHMQJSCM-UHFFFAOYAF