ChemSpider 2D Image | 2-Oxo-2H-chromen-7-yl 4-fluoro-3-methylbenzenesulfonate | C16H11FO5S

2-Oxo-2H-chromen-7-yl 4-fluoro-3-methylbenzenesulfonate

  • Molecular FormulaC16H11FO5S
  • Average mass334.319 Da
  • Monoisotopic mass334.031128 Da
  • ChemSpider ID31847284

More details:

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

2-Oxo-2H-chromen-7-yl 4-fluoro-3-methylbenzenesulfonate [ACD/IUPAC Name]
2-Oxo-2H-chromen-7-yl-4-fluor-3-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Fluoro-3-méthylbenzènesulfonate de 2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-fluoro-3-methyl-, 2-oxo-2H-1-benzopyran-7-yl ester [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: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.8±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.29
ACD/KOC (pH 5.5): 1014.97
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 111.29
ACD/KOC (pH 7.4): 1014.97
Polar Surface Area: 78 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

Click to predict properties on the Chemicalize site


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