ChemSpider 2D Image | 3-Chloro-4-fluorophenyl 3-methyl-8-quinolinesulfonate | C16H11ClFNO3S

3-Chloro-4-fluorophenyl 3-methyl-8-quinolinesulfonate

  • Molecular FormulaC16H11ClFNO3S
  • Average mass351.780 Da
  • Monoisotopic mass351.013214 Da
  • ChemSpider ID22555061

More details:

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

3-Chlor-4-fluorphenyl-3-methyl-8-chinolinsulfonat [German] [ACD/IUPAC Name]
3-Chloro-4-fluorophenyl 3-methyl-8-quinolinesulfonate [ACD/IUPAC Name]
3-Méthyl-8-quinoléinesulfonate de 3-chloro-4-fluorophényle [French] [ACD/IUPAC Name]
8-Quinolinesulfonic acid, 3-methyl-, 3-chloro-4-fluorophenyl 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: 524.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 271.2±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 928.07
ACD/KOC (pH 5.5): 4632.17
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 928.15
ACD/KOC (pH 7.4): 4632.56
Polar Surface Area: 65 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 242.9±3.0 cm3

Click to predict properties on the Chemicalize site


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