ChemSpider 2D Image | (9beta,14beta,17alpha)-6-Chloro-3,20-dioxopregna-4,6-dien-17-yl acetate | C23H29ClO4

(9β,14β,17α)-6-Chloro-3,20-dioxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC23H29ClO4
  • Average mass404.927 Da
  • Monoisotopic mass404.175446 Da
  • ChemSpider ID24541059

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(9β,14β,17α)-6-Chlor-3,20-dioxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
(9β,14β,17α)-6-Chloro-3,20-dioxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de (9β,14β,17α)-6-chloro-3,20-dioxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-, (9β,14β,17α)- [ACD/Index Name]
Chlormadinone acetate [BAN] [INN] [JAN] [JP15] [USAN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 172.5±29.1 °C
Index of Refraction: 1.563
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.97
ACD/KOC (pH 5.5): 2531.37
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.97
ACD/KOC (pH 7.4): 2531.37
Polar Surface Area: 60 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

Click to predict properties on the Chemicalize site


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