ChemSpider 2D Image | Phenyl 4-fluoro-3-nitrobenzenesulfonate | C12H8FNO5S

Phenyl 4-fluoro-3-nitrobenzenesulfonate

  • Molecular FormulaC12H8FNO5S
  • Average mass297.259 Da
  • Monoisotopic mass297.010712 Da
  • ChemSpider ID64846159

More details:

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

4-Fluoro-3-nitrobenzènesulfonate de phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-fluoro-3-nitro-, phenyl ester [ACD/Index Name]
Phenyl 4-fluoro-3-nitrobenzenesulfonate [ACD/IUPAC Name]
Phenyl-4-fluor-3-nitrobenzolsulfonat [German] [ACD/IUPAC Name]
phenyl 4-fluoro-3-nitrobenzene-1-sulfonate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 452.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 227.7±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.50
ACD/KOC (pH 5.5): 783.38
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.50
ACD/KOC (pH 7.4): 783.38
Polar Surface Area: 98 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 199.1±3.0 cm3

Click to predict properties on the Chemicalize site


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