ChemSpider 2D Image | [5-Fluoro-3-(isopropylsulfanyl)-7-methyl-1-benzofuran-2-yl]acetic acid | C14H15FO3S

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

  • Molecular FormulaC14H15FO3S
  • Average mass282.331 Da
  • Monoisotopic mass282.072601 Da
  • ChemSpider ID30657615

More details:

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

[5-Fluor-3-(isopropylsulfanyl)-7-methyl-1-benzofuran-2-yl]essigsäure [German] [ACD/IUPAC Name]
[5-Fluoro-3-(isopropylsulfanyl)-7-methyl-1-benzofuran-2-yl]acetic acid [ACD/IUPAC Name]
2-Benzofuranacetic acid, 5-fluoro-7-methyl-3-[(1-methylethyl)thio]- [ACD/Index Name]
Acide [5-fluoro-3-(isopropylsulfanyl)-7-méthyl-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: 1.3±0.1 g/cm3
Boiling Point: 421.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.7±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 13.69
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 217.6±5.0 cm3

Click to predict properties on the Chemicalize site


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