ChemSpider 2D Image | 4-[(6-Fluoro-3-pyridinyl)ethynyl]-2-benzofuran-1(3H)-one | C15H8FNO2

4-[(6-Fluoro-3-pyridinyl)ethynyl]-2-benzofuran-1(3H)-one

  • Molecular FormulaC15H8FNO2
  • Average mass253.228 Da
  • Monoisotopic mass253.053909 Da
  • ChemSpider ID94489862

More details:

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

1(3H)-Isobenzofuranone, 4-[2-(6-fluoro-3-pyridinyl)ethynyl]- [ACD/Index Name]
4-[(6-Fluor-3-pyridinyl)ethinyl]-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
4-[(6-Fluoro-3-pyridinyl)ethynyl]-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
4-[(6-Fluoro-3-pyridinyl)éthynyl]-2-benzofuran-1(3H)-one [French] [ACD/IUPAC 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: 513.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.4±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.58
ACD/KOC (pH 5.5): 805.53
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.58
ACD/KOC (pH 7.4): 805.53
Polar Surface Area: 39 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 180.4±5.0 cm3

Click to predict properties on the Chemicalize site


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