ChemSpider 2D Image | Bis[1-(3-chloro-4-pyridinyl)cycloheptyl]methanone | C25H30Cl2N2O

Bis[1-(3-chloro-4-pyridinyl)cycloheptyl]methanone

  • Molecular FormulaC25H30Cl2N2O
  • Average mass445.424 Da
  • Monoisotopic mass444.173523 Da
  • ChemSpider ID30687990

More details:

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

Bis[1-(3-chlor-4-pyridinyl)cycloheptyl]methanon [German] [ACD/IUPAC Name]
Bis[1-(3-chloro-4-pyridinyl)cycloheptyl]methanone [ACD/IUPAC Name]
Bis[1-(3-chloro-4-pyridinyl)cycloheptyl]méthanone [French] [ACD/IUPAC Name]
Methanone, bis[1-(3-chloro-4-pyridinyl)cycloheptyl]- [ACD/Index Name]
3-CHLORO-4-{1-[1-(3-CHLOROPYRIDIN-4-YL)CYCLOHEPTANECARBONYL]CYCLOHEPTYL}PYRIDINE
3-Chloro-4-pyridylcycloheptyl ketone
3-CHLORO-PYRIDIN-4-YLCYCLOHEPTYL KETONE
898785-24-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 83130.56
ACD/KOC (pH 5.5): 114665.68
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85635.42
ACD/KOC (pH 7.4): 118120.75
Polar Surface Area: 43 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 371.3±3.0 cm3

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