ChemSpider 2D Image | 2-[(3-Ethynylphenyl)ethynyl]-5-isocyanatofuran | C15H7NO2

2-[(3-Ethynylphenyl)ethynyl]-5-isocyanatofuran

  • Molecular FormulaC15H7NO2
  • Average mass233.222 Da
  • Monoisotopic mass233.047684 Da
  • ChemSpider ID90796225

More details:






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

2-[(3-Ethinylphenyl)ethinyl]-5-isocyanatofuran [German] [ACD/IUPAC Name]
2-[(3-Ethynylphenyl)ethynyl]-5-isocyanatofuran [ACD/IUPAC Name]
2-[(3-Éthynylphényl)éthynyl]-5-isocyanatofurane [French] [ACD/IUPAC Name]
Furan, 2-[2-(3-ethynylphenyl)ethynyl]-5-isocyanato- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 391.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.8±26.5 °C
Index of Refraction: 1.551
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 742.25
ACD/KOC (pH 5.5): 3947.69
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 742.25
ACD/KOC (pH 7.4): 3947.69
Polar Surface Area: 43 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 224.7±7.0 cm3

Click to predict properties on the Chemicalize site






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