ChemSpider 2D Image | 3-Nitrophenyl 4-fluorobenzenesulfonate | C12H8FNO5S

3-Nitrophenyl 4-fluorobenzenesulfonate

  • Molecular FormulaC12H8FNO5S
  • Average mass297.259 Da
  • Monoisotopic mass297.010712 Da
  • ChemSpider ID31281850

More details:

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

3-Nitrophenyl 4-fluorobenzenesulfonate [ACD/IUPAC Name]
3-Nitrophenyl-4-fluorbenzolsulfonat [German] [ACD/IUPAC Name]
4-Fluorobenzènesulfonate de 3-nitrophényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-fluoro-, 3-nitrophenyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 440.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 220.3±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: 3.51
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.57
ACD/KOC (pH 5.5): 854.97
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.57
ACD/KOC (pH 7.4): 854.97
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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