ChemSpider 2D Image | Methyl 6-fluoro-3-methyl-1-benzothiophene-2-carboxylate | C11H9FO2S

Methyl 6-fluoro-3-methyl-1-benzothiophene-2-carboxylate

  • Molecular FormulaC11H9FO2S
  • Average mass224.251 Da
  • Monoisotopic mass224.030731 Da
  • ChemSpider ID29361245

More details:

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

6-Fluoro-3-méthyl-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
863119-54-4 [RN]
Benzo[b]thiophene-2-carboxylic acid, 6-fluoro-3-methyl-, methyl ester [ACD/Index Name]
Methyl 6-fluoro-3-methyl-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Methyl 6-fluoro-3-methylbenzo[b]thiophene-2-carboxylate
Methyl-6-fluor-3-methyl-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
[863119-54-4] [RN]
6-Fluoro-3-methylbenzo[b]thiophene-2-carboxylic acid methyl ester
6-Fluoro-3-methyl-benzobthiophene-2-carboxylic acid methyl ester
MFCD22689242 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 316.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 145.3±26.5 °C
    Index of Refraction: 1.605
    Molar Refractivity: 59.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.79
    ACD/LogD (pH 5.5): 3.90
    ACD/BCF (pH 5.5): 540.89
    ACD/KOC (pH 5.5): 3147.49
    ACD/LogD (pH 7.4): 3.90
    ACD/BCF (pH 7.4): 540.89
    ACD/KOC (pH 7.4): 3147.49
    Polar Surface Area: 55 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 171.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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