N-(1-nitronaphthalen-2-yl)acetamide (5419-82-9)

The N-(1-Nitro-2-naphthalenyl)acetamide with the cas number 5419-82-9 is also called 2-Acetamido-1-nitronaphthalene. Both the systematic name and IUPAC name are N-(1-nitronaphthalen-2-yl)acetamide. Its molecular formula is C₁₂H₁₀N₂O₃.

The properties of the chemical are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 29.2; (6)ACD/BCF (pH 7.4): 29.2; (7)ACD/KOC (pH 5.5): 389.49; (8)ACD/KOC (pH 7.4): 389.49; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 64.91 cm³; (15)Molar Volume: 168.4 cm³; (16)Polarizability: 25.73×10^-24cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Enthalpy of Vaporization: 73.73 kJ/mol; (19)Vapour Pressure: 3.73×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c2c(ccc1NC(=O)C)cccc2
(2)InChI: InChI=1/C12H10N2O3/c1-8(15)13-11-7-6-9-4-2-3-5-10(9)12(11)14(16)17/h2-7H,1H3,(H,13,15)
(3)InChIKey: ZDOWETIOQWADNW-UHFFFAOYAC