ChemSpider 2D Image | 5-[4-(4-Bromo-2-chlorophenoxy)butanoyl]-1,2,4,5,6,7-hexahydro-3H-pyrazolo[4,3-c]pyridin-3-one | C16H17BrClN3O3

5-[4-(4-Bromo-2-chlorophenoxy)butanoyl]-1,2,4,5,6,7-hexahydro-3H-pyrazolo[4,3-c]pyridin-3-one

  • Molecular FormulaC16H17BrClN3O3
  • Average mass414.681 Da
  • Monoisotopic mass413.014160 Da
  • ChemSpider ID32194810

More details:

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

3H-Pyrazolo[4,3-c]pyridin-3-one, 5-[4-(4-bromo-2-chlorophenoxy)-1-oxobutyl]-1,2,4,5,6,7-hexahydro- [ACD/Index Name]
5-[4-(4-Brom-2-chlorphenoxy)butanoyl]-1,2,4,5,6,7-hexahydro-3H-pyrazolo[4,3-c]pyridin-3-on [German] [ACD/IUPAC Name]
5-[4-(4-Bromo-2-chlorophenoxy)butanoyl]-1,2,4,5,6,7-hexahydro-3H-pyrazolo[4,3-c]pyridin-3-one [ACD/IUPAC Name]
5-[4-(4-Bromo-2-chlorophénoxy)butanoyl]-1,2,4,5,6,7-hexahydro-3H-pyrazolo[4,3-c]pyridin-3-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 231.33
ACD/KOC (pH 5.5): 1701.10
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 219.23
ACD/KOC (pH 7.4): 1612.12
Polar Surface Area: 78 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

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