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

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

  • Molecular FormulaC18H23ClO2
  • Average mass306.827 Da
  • Monoisotopic mass306.138672 Da
  • ChemSpider ID58818959

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-1-Chlorestra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(17α)-1-Chloroestra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17α)-1-Chloroestra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 1-chloro-, (17α)- [ACD/Index Name]
1-Chloroestradiol
95846-28-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 456.8±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: 230.1±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1373.42
ACD/KOC (pH 5.5): 6132.24
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1357.92
ACD/KOC (pH 7.4): 6063.06
Polar Surface Area: 40 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 244.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement