ChemSpider 2D Image | 2-Oxo-2H-chromen-3-yl trifluoromethanesulfonate | C10H5F3O5S

2-Oxo-2H-chromen-3-yl trifluoromethanesulfonate

  • Molecular FormulaC10H5F3O5S
  • Average mass294.204 Da
  • Monoisotopic mass293.980988 Da
  • ChemSpider ID67170679

More details:

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

2-Oxo-2H-chromen-3-yl trifluoromethanesulfonate [ACD/IUPAC Name]
2-Oxo-2H-chromen-3-yl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 2-oxo-2H-1-benzopyran-3-yl ester [ACD/Index Name]
Trifluorométhanesulfonate de 2-oxo-2H-chromén-3-yle [French] [ACD/IUPAC Name]
coumarin triflate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 402.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 197.0±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 55.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.79
ACD/KOC (pH 5.5): 1515.25
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.79
ACD/KOC (pH 7.4): 1515.25
Polar Surface Area: 78 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 174.9±5.0 cm3

Click to predict properties on the Chemicalize site


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