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

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

  • Molecular FormulaC19H21BrFN3O
  • Average mass406.292 Da
  • Monoisotopic mass405.085205 Da
  • ChemSpider ID77499728

More details:

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

1-[3-(4-Brom-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-3-(2-fluorphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-[3-(4-Bromo-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-3-(2-fluorophenyl)-1-propanone [ACD/IUPAC Name]
1-[3-(4-Bromo-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-3-(2-fluorophényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-(4-bromo-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-3-(2-fluorophenyl)- [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: 559.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 492.90
ACD/KOC (pH 5.5): 2944.94
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 492.92
ACD/KOC (pH 7.4): 2945.03
Polar Surface Area: 38 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 263.4±7.0 cm3

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