Found 38 results

Search term: MF = 'C_{20}H_{23}BrO_{2}'
ChemSpider 2D Image | (17alpha)-4-Bromo-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol | C20H23BrO2

(17α)-4-Bromo-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol

  • Molecular FormulaC20H23BrO2
  • Average mass375.299 Da
  • Monoisotopic mass374.088135 Da
  • ChemSpider ID76824863

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-4-Brom-19-norpregna-1(10),2,4-trien-20-in-3,17-diol [German] [ACD/IUPAC Name]
(17α)-4-Bromo-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol [ACD/IUPAC Name]
(17α)-4-Bromo-19-norprégna-1(10),2,4-trién-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 4-bromo-17-ethynyl-, (17β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.5±28.7 °C
Index of Refraction: 1.651
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1882.43
ACD/KOC (pH 5.5): 7683.67
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1799.51
ACD/KOC (pH 7.4): 7345.20
Polar Surface Area: 40 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 257.3±5.0 cm3

Click to predict properties on the Chemicalize site


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