ChemSpider 2D Image | 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonate | C21H14N2O6S

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonate

  • Molecular FormulaC21H14N2O6S
  • Average mass422.411 Da
  • Monoisotopic mass422.057251 Da
  • ChemSpider ID21674777

More details:

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

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonate [ACD/IUPAC Name]
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-sulfonat [German] [ACD/IUPAC Name]
2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonate de 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)éthyle [French] [ACD/IUPAC Name]
Benz[cd]indole-6-sulfonic acid, 1,2-dihydro-2-oxo-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 586.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±28.2 °C
Index of Refraction: 1.717
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.83
ACD/KOC (pH 5.5): 477.66
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.81
ACD/KOC (pH 7.4): 477.43
Polar Surface Area: 118 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 270.7±3.0 cm3

Click to predict properties on the Chemicalize site


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