ChemSpider 2D Image | 2-[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]-2-methylpropanoic acid | C7H10FN3O2

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

  • Molecular FormulaC7H10FN3O2
  • Average mass187.172 Da
  • Monoisotopic mass187.075699 Da
  • ChemSpider ID35516360

More details:

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

1934901-15-1 [RN]
1H-1,2,3-Triazole-1-acetic acid, 4-(fluoromethyl)-α,α-dimethyl- [ACD/Index Name]
2-[4-(Fluormethyl)-1H-1,2,3-triazol-1-yl]-2-methylpropansäure [German] [ACD/IUPAC Name]
2-[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-[4-(fluorométhyl)-1H-1,2,3-triazol-1-yl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
2-(4-(fluoromethyl)-1H-1,2,3-triazol-1-yl)-2-methylpropanoic acid
2-(4-Fluoromethyl-[1,2,3]triazol-1-yl)-2-methyl-propionic acid
MFCD28955076

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 359.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 171.1±30.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 44.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.17
    ACD/LogD (pH 5.5): -2.11
    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: 17.5±0.5 10-24cm3
    Surface Tension: 43.6±7.0 dyne/cm
    Molar Volume: 138.0±7.0 cm3

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