Found 408 results

Search term: MF = 'C_{15}H_{17}FO_{3}S'
ChemSpider 2D Image | 4-Fluoro-3-{[(3-methyl-2-butanyl)oxy]methyl}-1-benzothiophene-2-carboxylic acid | C15H17FO3S

4-Fluoro-3-{[(3-methyl-2-butanyl)oxy]methyl}-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC15H17FO3S
  • Average mass296.357 Da
  • Monoisotopic mass296.088257 Da
  • ChemSpider ID35820907

More details:

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

4-Fluor-3-{[(3-methyl-2-butanyl)oxy]methyl}-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
4-Fluoro-3-{[(3-methyl-2-butanyl)oxy]methyl}-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-fluoro-3-{[(3-méthyl-2-butanyl)oxy]méthyl}-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-[(1,2-dimethylpropoxy)methyl]-4-fluoro- [ACD/Index 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: 416.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 205.5±27.3 °C
Index of Refraction: 1.586
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 12.63
ACD/KOC (pH 5.5): 51.86
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 5.95
Polar Surface Area: 75 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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