ChemSpider 2D Image | (8xi,9xi,13xi,14xi)-17-Oxoestra-1,3,5(10)-triene-3-sulfonyl chloride | C18H21ClO3S

(8ξ,9ξ,13ξ,14ξ)-17-Oxoestra-1,3,5(10)-triene-3-sulfonyl chloride

  • Molecular FormulaC18H21ClO3S
  • Average mass352.875 Da
  • Monoisotopic mass352.089996 Da
  • ChemSpider ID28688819

More details:






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

(8ξ,9ξ,13ξ,14ξ)-17-Oxoestra-1,3,5(10)-trien-3-sulfonylchlorid [German] [ACD/IUPAC Name]
(8ξ,9ξ,13ξ,14ξ)-17-Oxoestra-1,3,5(10)-triene-3-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de (8ξ,9ξ,13ξ,14ξ)-17-oxoestra-1,3,5(10)-triène-3-sulfonyle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3-sulfonyl chloride, 17-oxo-, (8ξ,9ξ,13ξ,14ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 489.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.7±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 471.57
ACD/KOC (pH 5.5): 2853.19
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 471.57
ACD/KOC (pH 7.4): 2853.19
Polar Surface Area: 60 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 270.4±3.0 cm3

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