ChemSpider 2D Image | 1-(3-Fluoro-4-methoxyphenyl)-2-(2-thienylsulfonyl)ethanone | C13H11FO4S2

1-(3-Fluoro-4-methoxyphenyl)-2-(2-thienylsulfonyl)ethanone

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID45180365

More details:

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

1-(3-Fluor-4-methoxyphenyl)-2-(2-thienylsulfonyl)ethanon [German] [ACD/IUPAC Name]
1-(3-Fluoro-4-methoxyphenyl)-2-(2-thienylsulfonyl)ethanone [ACD/IUPAC Name]
1-(3-Fluoro-4-méthoxyphényl)-2-(2-thiénylsulfonyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(3-fluoro-4-methoxyphenyl)-2-(2-thienylsulfonyl)- [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: 538.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.3±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.36
ACD/KOC (pH 5.5): 342.13
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.36
ACD/KOC (pH 7.4): 342.13
Polar Surface Area: 97 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 224.8±3.0 cm3

Click to predict properties on the Chemicalize site


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