ChemSpider 2D Image | 2,4-Dibromo-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-20-one | C20H24Br2O3

2,4-Dibromo-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-20-one

  • Molecular FormulaC20H24Br2O3
  • Average mass472.211 Da
  • Monoisotopic mass470.009216 Da
  • ChemSpider ID58819662

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,4-Dibrom-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-20-on [German] [ACD/IUPAC Name]
2,4-Dibromo-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-20-one [ACD/IUPAC Name]
2,4-Dibromo-3,17-dihydroxy-19-norprégna-1,3,5(10)-trién-20-one [French] [ACD/IUPAC Name]
Ethanone, 1-[(17α)-2,4-dibromo-3,17-dihydroxyestra-1,3,5(10)-trien-17-yl]- [ACD/Index Name]
137548-56-2 [RN]
2,4-Dibromo-17-acetylestradiol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 503.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 258.1±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4394.98
ACD/KOC (pH 5.5): 14021.08
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 1734.33
ACD/KOC (pH 7.4): 5532.95
Polar Surface Area: 58 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


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