ChemSpider 2D Image | 4-(4-Fluorophenyl)nicotinic acid | C12H8FNO2

4-(4-Fluorophenyl)nicotinic acid

  • Molecular FormulaC12H8FNO2
  • Average mass217.196 Da
  • Monoisotopic mass217.053909 Da
  • ChemSpider ID26770511

More details:

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

3-Pyridinecarboxylic acid, 4-(4-fluorophenyl)- [ACD/Index Name]
4-(4-Fluorophenyl)nicotinic acid [ACD/IUPAC Name]
4-(4-Fluorphenyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 4-(4-fluorophényl)nicotinique [French] [ACD/IUPAC Name]
2-(2-Fluorophenyl)-3-oxobutanenitrile [ACD/IUPAC Name]
32923-72-1 [RN]
4-(4-Fluorophenyl)nicotinicacid
4-(4-Fluorophenyl)pyridine-3-carboxylic acid
MFCD18207551 [MDL number]
YB-3654

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 350.7±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.8±3.0 kJ/mol
    Flash Point: 165.9±23.7 °C
    Index of Refraction: 1.594
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.29
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.29
    ACD/LogD (pH 7.4): -0.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 164.7±3.0 cm3

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