ChemSpider 2D Image | 3-{4-[(6-Chloro-2-pyridinyl)ethynyl]-3-fluorophenyl}-3-oxopropanenitrile | C16H8ClFN2O

3-{4-[(6-Chloro-2-pyridinyl)ethynyl]-3-fluorophenyl}-3-oxopropanenitrile

  • Molecular FormulaC16H8ClFN2O
  • Average mass298.699 Da
  • Monoisotopic mass298.030914 Da
  • ChemSpider ID87950396

More details:

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

3-{4-[(6-Chlor-2-pyridinyl)ethinyl]-3-fluorphenyl}-3-oxopropannitril [German] [ACD/IUPAC Name]
3-{4-[(6-Chloro-2-pyridinyl)ethynyl]-3-fluorophenyl}-3-oxopropanenitrile [ACD/IUPAC Name]
3-{4-[(6-Chloro-2-pyridinyl)éthynyl]-3-fluorophényl}-3-oxopropanenitrile [French] [ACD/IUPAC Name]
Benzenepropanenitrile, 4-[2-(6-chloro-2-pyridinyl)ethynyl]-3-fluoro-β-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.42
ACD/KOC (pH 5.5): 970.99
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 17.95
ACD/KOC (pH 7.4): 162.29
Polar Surface Area: 54 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 214.3±5.0 cm3

Click to predict properties on the Chemicalize site


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