ChemSpider 2D Image | trengestone | C21H25ClO2

trengestone

  • Molecular FormulaC21H25ClO2
  • Average mass344.875 Da
  • Monoisotopic mass344.154297 Da
  • ChemSpider ID28475379
  • defined stereocentres - 6 of 6 defined stereocentres


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Featured data source



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

(9β,10α)-6-Chloropregna-1,4,6-triene-3,20-dione [ACD/IUPAC Name]
(9β,10α)-6-Chloroprégna-1,4,6-triène-3,20-dione [French] [ACD/IUPAC Name]
(9β,10α)-6-Chlorpregna-1,4,6-trien-3,20-dion [German] [ACD/IUPAC Name]
2757
Pregna-1,4,6-triene-3,20-dione, 6-chloro-, (9β,10α)- [ACD/Index Name]
trengestona [Spanish] [INN]
trengestone [INN]
trengestone [French] [INN]
trengestonum [Latin] [INN]
VY6S496SVX
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 478.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 201.0±29.3 °C
Index of Refraction: 1.580
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 532.72
ACD/KOC (pH 5.5): 3113.35
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.72
ACD/KOC (pH 7.4): 3113.35
Polar Surface Area: 34 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 286.8±5.0 cm3

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