ChemSpider 2D Image | 2-(2-Bromo-4-fluorophenyl)-1-[3-(4-methyl-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethanone | C19H21BrFN3O

2-(2-Bromo-4-fluorophenyl)-1-[3-(4-methyl-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethanone

  • Molecular FormulaC19H21BrFN3O
  • Average mass406.292 Da
  • Monoisotopic mass405.085205 Da
  • ChemSpider ID90614790

More details:

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

2-(2-Brom-4-fluorphenyl)-1-[3-(4-methyl-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethanon [German] [ACD/IUPAC Name]
2-(2-Bromo-4-fluorophenyl)-1-[3-(4-methyl-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethanone [ACD/IUPAC Name]
2-(2-Bromo-4-fluorophényl)-1-[3-(4-méthyl-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2-bromo-4-fluorophenyl)-1-[3-(4-methyl-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.25
ACD/KOC (pH 5.5): 2390.77
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.99
ACD/KOC (pH 7.4): 2421.42
Polar Surface Area: 38 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 262.5±7.0 cm3

Click to predict properties on the Chemicalize site


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