ChemSpider 2D Image | 4-Chloro-3-ethylphenyl 3-cyano-4-fluorobenzenesulfonate | C15H11ClFNO3S

4-Chloro-3-ethylphenyl 3-cyano-4-fluorobenzenesulfonate

  • Molecular FormulaC15H11ClFNO3S
  • Average mass339.769 Da
  • Monoisotopic mass339.013214 Da
  • ChemSpider ID31828636

More details:

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

3-Cyano-4-fluorobenzènesulfonate de 4-chloro-3-éthylphényle [French] [ACD/IUPAC Name]
4-Chlor-3-ethylphenyl-3-cyan-4-fluorbenzolsulfonat [German] [ACD/IUPAC Name]
4-Chloro-3-ethylphenyl 3-cyano-4-fluorobenzenesulfonate [ACD/IUPAC Name]
Benzenesulfonic acid, 3-cyano-4-fluoro-, 4-chloro-3-ethylphenyl 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: 477.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.4±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 637.07
ACD/KOC (pH 5.5): 3538.67
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.07
ACD/KOC (pH 7.4): 3538.67
Polar Surface Area: 76 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 233.7±5.0 cm3

Click to predict properties on the Chemicalize site


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