ChemSpider 2D Image | (16alpha,17beta)-16-Chloroestra-1(10),2,4-triene-3,17-diol | C18H23ClO2

(16α,17β)-16-Chloroestra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC18H23ClO2
  • Average mass306.827 Da
  • Monoisotopic mass306.138672 Da
  • ChemSpider ID26382973

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α,17β)-16-Chlorestra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(16α,17β)-16-Chloroestra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(16α,17β)-16-Chloroestra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 16-chloro-, (16α,17β)- [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: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.2±28.7 °C
Index of Refraction: 1.619
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.38
ACD/KOC (pH 5.5): 2528.68
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 397.81
ACD/KOC (pH 7.4): 2525.05
Polar Surface Area: 40 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 239.3±5.0 cm3

Click to predict properties on the Chemicalize site


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