ChemSpider 2D Image | 4-Fluoro-3-{[(2-methoxy-2-oxoethyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid | C13H11FO4S2

4-Fluoro-3-{[(2-methoxy-2-oxoethyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID37953141

More details:

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

4-Fluor-3-{[(2-methoxy-2-oxoethyl)sulfanyl]methyl}-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
4-Fluoro-3-{[(2-methoxy-2-oxoethyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-fluoro-3-{[(2-méthoxy-2-oxoéthyl)sulfanyl]méthyl}-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-3-[[(2-methoxy-2-oxoethyl)thio]methyl]- [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: 478.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.653
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 22.85
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.93
Polar Surface Area: 117 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 213.1±3.0 cm3

Click to predict properties on the Chemicalize site


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