ChemSpider 2D Image | 9-bromo-11-fluoropregn-4-ene-3,20-dione | C21H28BrFO2

9-bromo-11-fluoropregn-4-ene-3,20-dione

  • Molecular FormulaC21H28BrFO2
  • Average mass411.348 Da
  • Monoisotopic mass410.125671 Da
  • ChemSpider ID71081692

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(8ξ,10ξ,13ξ,14ξ,17ξ)-9-Brom-11-fluorpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ,17ξ)-9-Bromo-11-fluoropregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ,17ξ)-9-Bromo-11-fluoroprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
9-bromo-11-fluoropregn-4-ene-3,20-dione
Pregn-4-ene-3,20-dione, 9-bromo-11-fluoro-, (8ξ,10ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]
4031-30-5 [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: 488.5±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: 249.3±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 451.53
ACD/KOC (pH 5.5): 2765.85
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.53
ACD/KOC (pH 7.4): 2765.85
Polar Surface Area: 34 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

Click to predict properties on the Chemicalize site


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