The Butanamide,2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxo-, with the CAS registry number 6358-31-2, has the IUPAC name of 2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide. For being a kind of bright yellow powder, its product categories are including Organics.
The characteristics of this chemical are as below: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 2.78; (5)#H bond acceptors: 10; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 135.17; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 99.15 cm3; (11)Molar Volume: 289.6 cm3; (12)Polarizability: 39.3×10-24 cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 302.9 °C; (16)Enthalpy of Vaporization: 86.41 kJ/mol; (17)Boiling Point: 577.2 °C at 760 mmHg; (18)Vapour Pressure: 2.55E-13 mmHg at 25°C; (19)Exact Mass: 386.122634; (20)MonoIsotopic Mass: 386.122634; (21)Topological Polar Surface Area: 135; (22)Heavy Atom Count: 28; (23)Complexity: 593; (24)Covalently-Bonded Unit Count: 1.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC
(2)InChI: InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-9-8-12(22(25)26)10-16(14)28-3/h4-10,17H,1-3H3,(H,19,24)
(3)InChIKey: ZTISORAUJJGACZ-UHFFFAOYSA-N
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