ChemSpider 2D Image | (17alpha)-2,4-Dibromoestra-1,3,5(10)-triene-3,17-diol | C18H22Br2O2

(17α)-2,4-Dibromoestra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC18H22Br2O2
  • Average mass430.174 Da
  • Monoisotopic mass427.998627 Da
  • ChemSpider ID58818940

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-2,4-Dibromestra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(17α)-2,4-Dibromoestra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(17α)-2,4-Dibromoestra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 2,4-dibromo-, (17α)- [ACD/Index Name]
19590-55-7 [RN]
2,4-Dibromoestradiol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 454.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 228.9±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5909.13
ACD/KOC (pH 5.5): 17337.06
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2431.93
ACD/KOC (pH 7.4): 7135.13
Polar Surface Area: 40 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 265.0±3.0 cm3

Click to predict properties on the Chemicalize site


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