ChemSpider 2D Image | 3-[2-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid | C12H12FN3O2

3-[2-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID21801555

More details:

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

1142202-58-1 [RN]
1H-1,2,4-Triazole-5-propanoic acid, 1-(3-fluorophenyl)-3-methyl- [ACD/Index Name]
3-[1-(3-Fluorophenyl)-3-methyl-1H-1,2,4-triazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[1-(3-Fluorphenyl)-3-methyl-1H-1,2,4-triazol-5-yl]propansäure [German] [ACD/IUPAC Name]
3-[2-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid
Acide 3-[1-(3-fluorophényl)-3-méthyl-1H-1,2,4-triazol-5-yl]propanoïque [French] [ACD/IUPAC Name]
3-(1-(3-Fluorophenyl)-3-methyl-1H-1,2,4-triazol-5-yl)propanoic acid
3-[1-(3-fluorophenyl)-3-methyl-1,2,4-triazol-5-yl]propanoic acid

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

MFCD12028234 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 487.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 248.7±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 64.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): 0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.10
    ACD/LogD (pH 7.4): -1.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 46.9±7.0 dyne/cm
    Molar Volume: 185.6±7.0 cm3

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