ChemSpider 2D Image | 3-Fluoro-4-{[2-(2-thienyl)ethyl]sulfonyl}benzoic acid | C13H11FO4S2

3-Fluoro-4-{[2-(2-thienyl)ethyl]sulfonyl}benzoic acid

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID52362224

More details:

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

3-Fluor-4-{[2-(2-thienyl)ethyl]sulfonyl}benzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-4-{[2-(2-thienyl)ethyl]sulfonyl}benzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-4-{[2-(2-thiényl)éthyl]sulfonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-[[2-(2-thienyl)ethyl]sulfonyl]- [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: 540.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.7±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 214.6±3.0 cm3

Click to predict properties on the Chemicalize site


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