ChemSpider 2D Image | 2-[(2-{[2-(Methylsulfonyl)ethyl]sulfonyl}benzoyl)oxy]-1H-isoindole-1,3(2H)-dione | C18H15NO8S2

2-[(2-{[2-(Methylsulfonyl)ethyl]sulfonyl}benzoyl)oxy]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC18H15NO8S2
  • Average mass437.444 Da
  • Monoisotopic mass437.023895 Da
  • ChemSpider ID71089085

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[[2-[[2-(methylsulfonyl)ethyl]sulfonyl]benzoyl]oxy]- [ACD/Index Name]
2-[(2-{[2-(Methylsulfonyl)ethyl]sulfonyl}benzoyl)oxy]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(2-{[2-(Methylsulfonyl)ethyl]sulfonyl}benzoyl)oxy]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(2-{[2-(Méthylsulfonyl)éthyl]sulfonyl}benzoyl)oxy]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(2-methanesulfonylethanesulfonyl)benzoate
2248280-75-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 745.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.7±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 41.83
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 41.83
Polar Surface Area: 149 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 270.6±5.0 cm3

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