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

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

  • Molecular FormulaC7H10FN3O2
  • Average mass187.172 Da
  • Monoisotopic mass187.075699 Da
  • ChemSpider ID35516359

More details:

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

1992992-00-3 [RN]
1H-1,2,3-Triazole-1-acetic acid, α-ethyl-4-(fluoromethyl)- [ACD/Index Name]
2-[4-(Fluormethyl)-1H-1,2,3-triazol-1-yl]butansäure [German] [ACD/IUPAC Name]
2-[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]butanoic acid [ACD/IUPAC Name]
Acide 2-[4-(fluorométhyl)-1H-1,2,3-triazol-1-yl]butanoïque [French] [ACD/IUPAC Name]
2-(4-(fluoromethyl)-1H-1,2,3-triazol-1-yl)butanoic acid
2-(4-Fluoromethyl-[1,2,3]triazol-1-yl)-butyric acid
MFCD28955075

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 362.4±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 173.0±30.7 °C
    Index of Refraction: 1.568
    Molar Refractivity: 43.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): -2.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 45.8±7.0 dyne/cm
    Molar Volume: 133.5±7.0 cm3

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