Found 18 results

Search term: MF = 'C_{22}H_{29}BrO_{2}'
ChemSpider 2D Image | (8xi,9xi,14xi)-4-Bromo-3-hydroxy-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-one | C22H29BrO2

(8ξ,9ξ,14ξ)-4-Bromo-3-hydroxy-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-one

  • Molecular FormulaC22H29BrO2
  • Average mass405.368 Da
  • Monoisotopic mass404.135071 Da
  • ChemSpider ID26592637

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-4-Brom-3-hydroxy-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-4-Bromo-3-hydroxy-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-4-Bromo-3-hydroxy-2-(2-méthyl-2-propanyl)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 4-bromo-2-(1,1-dimethylethyl)-3-hydroxy-, (8ξ,9ξ,14ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 230.3±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 12974.30
ACD/KOC (pH 5.5): 30600.65
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12949.43
ACD/KOC (pH 7.4): 30542.01
Polar Surface Area: 37 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

Click to predict properties on the Chemicalize site


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