ChemSpider 2D Image | 2-Methyl-8-quinolinyl 2-(trifluoromethoxy)benzenesulfonate | C17H12F3NO4S

2-Methyl-8-quinolinyl 2-(trifluoromethoxy)benzenesulfonate

  • Molecular FormulaC17H12F3NO4S
  • Average mass383.342 Da
  • Monoisotopic mass383.043915 Da
  • ChemSpider ID31396400

More details:






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

2-(Trifluorométhoxy)benzènesulfonate de 2-méthyl-8-quinoléinyle [French] [ACD/IUPAC Name]
2-Methyl-8-chinolinyl-2-(trifluormethoxy)benzolsulfonat [German] [ACD/IUPAC Name]
2-Methyl-8-quinolinyl 2-(trifluoromethoxy)benzenesulfonate [ACD/IUPAC Name]
Benzenesulfonic acid, 2-(trifluoromethoxy)-, 2-methyl-8-quinolinyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 483.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 245.9±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 528.11
ACD/KOC (pH 5.5): 3093.38
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 528.53
ACD/KOC (pH 7.4): 3095.83
Polar Surface Area: 74 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement