ChemSpider 2D Image | (13xi,17beta)-4-Chloro-17-hydroxyestr-4-en-3-one | C18H25ClO2

(13ξ,17β)-4-Chloro-17-hydroxyestr-4-en-3-one

  • Molecular FormulaC18H25ClO2
  • Average mass308.843 Da
  • Monoisotopic mass308.154297 Da
  • ChemSpider ID58816685
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(13ξ,17β)-4-Chlor-17-hydroxyestr-4-en-3-on [German] [ACD/IUPAC Name]
(13ξ,17β)-4-Chloro-17-hydroxyestr-4-en-3-one [ACD/IUPAC Name]
(13ξ,17β)-4-Chloro-17-hydroxyestr-4-én-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 4-chloro-17-hydroxy-, (13ξ,17β)- [ACD/Index Name]
13583-21-6 [RN]
Norclostebol [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 225.9±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.32
ACD/KOC (pH 5.5): 1534.84
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.32
ACD/KOC (pH 7.4): 1534.84
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 252.2±5.0 cm3

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