ChemSpider 2D Image | Methyl 12-bromoabieta-8(14),9(11),12-trien-18-oate | C21H29BrO2

Methyl 12-bromoabieta-8(14),9(11),12-trien-18-oate

  • Molecular FormulaC21H29BrO2
  • Average mass393.358 Da
  • Monoisotopic mass392.135071 Da
  • ChemSpider ID24744818

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

12-Bromoabiéta-8(14),9(11),12-trién-18-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 6-bromo-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)- [ACD/Index Name]
Methyl 12-bromoabieta-8(14),9(11),12-trien-18-oate [ACD/IUPAC Name]
Methyl-12-bromabieta-8(14),9(11),12-trien-18-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.7±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 174673.14
ACD/KOC (pH 5.5): 196771.41
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 174673.14
ACD/KOC (pH 7.4): 196771.41
Polar Surface Area: 26 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 325.3±3.0 cm3

Click to predict properties on the Chemicalize site


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