ChemSpider 2D Image | [5-Fluoro-7-methyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid | C12H11FO3S

[5-Fluoro-7-methyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid

  • Molecular FormulaC12H11FO3S
  • Average mass254.277 Da
  • Monoisotopic mass254.041290 Da
  • ChemSpider ID30656894

More details:

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

[5-Fluor-7-methyl-3-(methylsulfanyl)-1-benzofuran-2-yl]essigsäure [German] [ACD/IUPAC Name]
[5-Fluoro-7-methyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid [ACD/IUPAC Name]
2-Benzofuranacetic acid, 5-fluoro-7-methyl-3-(methylthio)- [ACD/Index Name]
Acide [5-fluoro-7-méthyl-3-(méthylsulfanyl)-1-benzofuran-2-yl]acétique [French] [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: 407.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.4±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 65.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.01
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 184.4±5.0 cm3

Click to predict properties on the Chemicalize site


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