ChemSpider 2D Image | 1-[2-(Ethylsulfonyl)ethyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea | C14H19FN2O5S

1-[2-(Ethylsulfonyl)ethyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

  • Molecular FormulaC14H19FN2O5S
  • Average mass346.375 Da
  • Monoisotopic mass346.099884 Da
  • ChemSpider ID30313041

More details:

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

1-[2-(Ethylsulfonyl)ethyl]-3-[(6-fluor-4H-1,3-benzodioxin-8-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-[2-(Ethylsulfonyl)ethyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea [ACD/IUPAC Name]
1-[2-(Éthylsulfonyl)éthyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-(ethylsulfonyl)ethyl]-N'-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.31
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.31
Polar Surface Area: 102 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 257.2±3.0 cm3

Click to predict properties on the Chemicalize site


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