ChemSpider 2D Image | 3-{2-[(2,4-Dinitrophenyl)hydrazono]-2-(4-methylphenyl)ethyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one | C25H22N4O8

3-{2-[(2,4-Dinitrophenyl)hydrazono]-2-(4-methylphenyl)ethyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC25H22N4O8
  • Average mass506.464 Da
  • Monoisotopic mass506.143768 Da
  • ChemSpider ID3367338

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1(3H)-Isobenzofuranone, 3-[2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methylphenyl)ethyl]-6,7-dimethoxy- [ACD/Index Name]
3-{2-[(2,4-Dinitrophenyl)hydrazono]-2-(4-methylphenyl)ethyl}-6,7-dimethoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3-{2-[(2,4-Dinitrophenyl)hydrazono]-2-(4-methylphenyl)ethyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3-{2-[(2,4-Dinitrophényl)hydrazono]-2-(4-méthylphényl)éthyl}-6,7-diméthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 705.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.3±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1258.80
ACD/KOC (pH 5.5): 5761.66
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1258.80
ACD/KOC (pH 7.4): 5761.65
Polar Surface Area: 161 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 354.7±7.0 cm3

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