ChemSpider 2D Image | Methyl 3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate | C15H17Cl2NO2

Methyl 3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC15H17Cl2NO2
  • Average mass314.207 Da
  • Monoisotopic mass313.063629 Da
  • ChemSpider ID10715952

More details:

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

3-(3,4-Dichlorophényl)-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(3,4-dichlorophenyl)-, methyl ester [ACD/Index Name]
Methyl 3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-3-(3,4-dichlorphenyl)-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 407.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.3±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 16.54
Polar Surface Area: 38 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 244.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement