ChemSpider 2D Image | tert-Butyl 6-fluoronicotinate | C10H12FNO2

tert-Butyl 6-fluoronicotinate

  • Molecular FormulaC10H12FNO2
  • Average mass197.206 Da
  • Monoisotopic mass197.085205 Da
  • ChemSpider ID28559335

More details:

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

2-Methyl-2-propanyl 6-fluoronicotinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-fluornicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 6-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]
676560-01-3 [RN]
6-Fluoronicotinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 6-fluoronicotinate
[676560-01-3] [RN]
[67657-90-3] [RN]
2-Fluoroisonicotinic acid tert-butyl ester
67657-90-3 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 251.0±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.8±3.0 kJ/mol
    Flash Point: 105.6±21.8 °C
    Index of Refraction: 1.485
    Molar Refractivity: 50.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.25
    ACD/LogD (pH 5.5): 2.15
    ACD/BCF (pH 5.5): 25.46
    ACD/KOC (pH 5.5): 353.11
    ACD/LogD (pH 7.4): 2.15
    ACD/BCF (pH 7.4): 25.46
    ACD/KOC (pH 7.4): 353.11
    Polar Surface Area: 39 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 174.3±3.0 cm3

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