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

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

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID44690274

More details:

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

4-Fluor-3-{[2-(3-thienyl)ethyl]sulfonyl}benzoesäure [German] [ACD/IUPAC Name]
4-Fluoro-3-{[2-(3-thienyl)ethyl]sulfonyl}benzoic acid [ACD/IUPAC Name]
Acide 4-fluoro-3-{[2-(3-thiényl)éthyl]sulfonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-[[2-(3-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: 565.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±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: 2.27
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): -0.41
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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