ChemSpider 2D Image | (1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate | C15H17Cl2NO2

(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate

  • Molecular FormulaC15H17Cl2NO2
  • Average mass314.207 Da
  • Monoisotopic mass313.063629 Da
  • ChemSpider ID57412230

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate [ACD/IUPAC Name]
(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-3,5-dichlorbenzoat [German] [ACD/IUPAC Name]
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate
3,5-Dichlorobenzoate de (1R,5R)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
40796-97-2 [RN]
Benzoic acid, 3,5-dichloro-, (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
[(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate
MFCD00865533

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

MDL 72222 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.6±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 17.43
Polar Surface Area: 30 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 233.8±5.0 cm3

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