ChemSpider 2D Image | 3-[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]propanoic acid | C6H8FN3O2

3-[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]propanoic acid

  • Molecular FormulaC6H8FN3O2
  • Average mass173.145 Da
  • Monoisotopic mass173.060059 Da
  • ChemSpider ID35516363

More details:

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

1992992-03-6 [RN]
1H-1,2,3-Triazole-1-propanoic acid, 4-(fluoromethyl)- [ACD/Index Name]
3-[4-(Fluormethyl)-1H-1,2,3-triazol-1-yl]propansäure [German] [ACD/IUPAC Name]
3-[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]propanoic acid [ACD/IUPAC Name]
Acide 3-[4-(fluorométhyl)-1H-1,2,3-triazol-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-(4-(fluoromethyl)-1H-1,2,3-triazol-1-yl)propanoic acid
3-(4-Fluoromethyl-[1,2,3]triazol-1-yl)-propionic acid
MFCD28955079

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 386.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 187.4±30.7 °C
    Index of Refraction: 1.579
    Molar Refractivity: 39.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): -1.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 51.2±7.0 dyne/cm
    Molar Volume: 118.3±7.0 cm3

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