ChemSpider 2D Image | 3-[(4-Benzyl-1-piperidinyl)carbonyl]-6,8-dibromo-2H-chromen-2-one | C22H19Br2NO3

3-[(4-Benzyl-1-piperidinyl)carbonyl]-6,8-dibromo-2H-chromen-2-one

  • Molecular FormulaC22H19Br2NO3
  • Average mass505.199 Da
  • Monoisotopic mass502.973145 Da
  • ChemSpider ID12022521

More details:

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

2H-1-Benzopyran-2-one, 6,8-dibromo-3-[[4-(phenylmethyl)-1-piperidinyl]carbonyl]- [ACD/Index Name]
3-[(4-Benzyl-1-piperidinyl)carbonyl]-6,8-dibrom-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[(4-Benzyl-1-piperidinyl)carbonyl]-6,8-dibromo-2H-chromen-2-one [ACD/IUPAC Name]
3-[(4-Benzyl-1-pipéridinyl)carbonyl]-6,8-dibromo-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[(4-Benzylpiperidin-1-yl)carbonyl]-6,8-dibromo-2H-chromen-2-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 656.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6912.01
ACD/KOC (pH 5.5): 19497.57
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6912.01
ACD/KOC (pH 7.4): 19497.57
Polar Surface Area: 47 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement