ChemSpider 2D Image | 17-Oxoestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate | C23H29Cl2NO3

17-Oxoestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate

  • Molecular FormulaC23H29Cl2NO3
  • Average mass438.387 Da
  • Monoisotopic mass437.152435 Da
  • ChemSpider ID28551347

More details:

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

17-Oxoestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate [ACD/IUPAC Name]
17-Oxoestra-1(10),2,4-trien-3-yl-bis(2-chlorethyl)carbamat [German] [ACD/IUPAC Name]
Bis(2-chloroéthyl)carbamate de 17-oxoestra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(2-chloroethyl)-, 17-oxoestra-1(10),2,4-trien-3-yl ester [ACD/Index Name]
3-(((bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-one
63912-19-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2328.89
ACD/KOC (pH 5.5): 8949.56
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2328.89
ACD/KOC (pH 7.4): 8949.56
Polar Surface Area: 47 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement