ChemSpider 2D Image | [(9Z)-9-(4-Bromobenzylidene)-7-azatricyclo[4.3.1.0~3,7~]dec-2-yl]methyl benzoate | C24H24BrNO2

[(9Z)-9-(4-Bromobenzylidene)-7-azatricyclo[4.3.1.03,7]dec-2-yl]methyl benzoate

  • Molecular FormulaC24H24BrNO2
  • Average mass438.357 Da
  • Monoisotopic mass437.099030 Da
  • ChemSpider ID23151558
  • Double-bond stereo - Double-bond stereo


More details:






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

[(9Z)-9-(4-Brombenzyliden)-7-azatricyclo[4.3.1.03,7]dec-2-yl]methyl-benzoat [German] [ACD/IUPAC Name]
[(9Z)-9-(4-Bromobenzylidene)-7-azatricyclo[4.3.1.03,7]dec-2-yl]methyl benzoate [ACD/IUPAC Name]
3,7-Methanoindolizine-8-methanol, 6-[(4-bromophenyl)methylene]octahydro-, benzoate (ester), (6Z)- [ACD/Index Name]
Benzoate de [(9Z)-9-(4-bromobenzylidène)-7-azatricyclo[4.3.1.03,7]déc-2-yl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid 9-(4-bromo-benzylidene)-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester
CHEMBL300155

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 546.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±23.2 °C
Index of Refraction: 1.664
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 13.22
ACD/KOC (pH 5.5): 30.85
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 207.58
ACD/KOC (pH 7.4): 484.31
Polar Surface Area: 30 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

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