ChemSpider 2D Image | (17beta)-3-Oxoandrost-4-en-17-yl dichloroacetate | C21H28Cl2O3

(17β)-3-Oxoandrost-4-en-17-yl dichloroacetate

  • Molecular FormulaC21H28Cl2O3
  • Average mass399.351 Da
  • Monoisotopic mass398.141541 Da
  • ChemSpider ID21587204

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17β)-17-[(2,2-Dichloroacetyl)oxy]androst-4-en-3-one
(17β)-3-Oxoandrost-4-en-17-yl dichloroacetate [ACD/IUPAC Name]
(17β)-3-Oxoandrost-4-en-17-yl-dichloracetat [German] [ACD/IUPAC Name]
7768-48-1 [RN]
Acetic acid, 2,2-dichloro-, (17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
Dichloroacétate de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520058/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 168.6±27.7 °C
Index of Refraction: 1.556
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2353.15
ACD/KOC (pH 5.5): 9016.17
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2353.15
ACD/KOC (pH 7.4): 9016.17
Polar Surface Area: 43 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 318.3±5.0 cm3

Click to predict properties on the Chemicalize site


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