ChemSpider 2D Image | Methyl 5-bromo-2-fluoronicotinate | C7H5BrFNO2

Methyl 5-bromo-2-fluoronicotinate

  • Molecular FormulaC7H5BrFNO2
  • Average mass234.023 Da
  • Monoisotopic mass232.948761 Da
  • ChemSpider ID23347153

More details:

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

3-Pyridinecarboxylic acid, 5-bromo-2-fluoro-, methyl ester [ACD/Index Name]
5-Bromo-2-fluoronicotinate de méthyle [French] [ACD/IUPAC Name]
931105-37-2 [RN]
Methyl 5-bromo-2-fluoronicotinate [ACD/IUPAC Name]
Methyl-5-brom-2-fluornicotinat [German] [ACD/IUPAC Name]
[931105-37-2] [RN]
3-Pyridinecarboxylicacid,5-bromo-2-fluoro-,methyl ester
5-(((Benzyloxy)carbonyl)amino)pentanoic acid
98%
BR-26871
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 260.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.8±3.0 kJ/mol
    Flash Point: 111.4±27.3 °C
    Index of Refraction: 1.534
    Molar Refractivity: 43.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.56
    ACD/LogD (pH 5.5): 1.61
    ACD/BCF (pH 5.5): 9.78
    ACD/KOC (pH 5.5): 178.09
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 9.78
    ACD/KOC (pH 7.4): 178.09
    Polar Surface Area: 39 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 140.9±3.0 cm3

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