ChemSpider 2D Image | (17alpha)-11-(Bromomethyl)estra-1(10),2,4-triene-3,17-diol | C19H25BrO2

(17α)-11-(Bromomethyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC19H25BrO2
  • Average mass365.305 Da
  • Monoisotopic mass364.103790 Da
  • ChemSpider ID58818911

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(17α)-11-(Brommethyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(17α)-11-(Bromomethyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17α)-11-(Bromométhyl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 11-(bromomethyl)-, (17α)- [ACD/Index Name]
11-Bromomethylestradiol
90937-07-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.8±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 879.72
ACD/KOC (pH 5.5): 4458.21
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 878.42
ACD/KOC (pH 7.4): 4451.62
Polar Surface Area: 40 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 266.9±3.0 cm3

Click to predict properties on the Chemicalize site


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