ChemSpider 2D Image | 2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonate | C21H14N2O7S

2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonate

  • Molecular FormulaC21H14N2O7S
  • Average mass438.410 Da
  • Monoisotopic mass438.052185 Da
  • ChemSpider ID25958786

More details:

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

2-(1,3-Dioxo-1H-benzo[de]isochinolin-2(3H)-yl)ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-sulfonat [German] [ACD/IUPAC Name]
2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonate [ACD/IUPAC Name]
2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonate de 2-(1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)éthyle [French] [ACD/IUPAC Name]
6-Benzoxazolesulfonic acid, 2,3-dihydro-2-oxo-, 2-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.44
ACD/KOC (pH 5.5): 438.13
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.16
ACD/KOC (pH 7.4): 370.93
Polar Surface Area: 127 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 279.5±3.0 cm3

Click to predict properties on the Chemicalize site


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