ChemSpider 2D Image | Methyl 2-fluoro-4-[(2-thienylsulfonyl)methyl]benzoate | C13H11FO4S2

Methyl 2-fluoro-4-[(2-thienylsulfonyl)methyl]benzoate

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID53192438

More details:

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

2-Fluoro-4-[(2-thiénylsulfonyl)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-4-[(2-thienylsulfonyl)methyl]-, methyl ester [ACD/Index Name]
Methyl 2-fluoro-4-[(2-thienylsulfonyl)methyl]benzoate [ACD/IUPAC Name]
Methyl-2-fluor-4-[(2-thienylsulfonyl)methyl]benzoat [German] [ACD/IUPAC 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: 510.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±30.1 °C
Index of Refraction: 1.579
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: 1.96
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.98
ACD/KOC (pH 5.5): 443.29
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.98
ACD/KOC (pH 7.4): 443.29
Polar Surface Area: 97 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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