ChemSpider 2D Image | [4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]acetic acid | C5H6FN3O2

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

  • Molecular FormulaC5H6FN3O2
  • Average mass159.118 Da
  • Monoisotopic mass159.044403 Da
  • ChemSpider ID35516357

More details:

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

[4-(Fluormethyl)-1H-1,2,3-triazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[4-(Fluoromethyl)-1H-1,2,3-triazol-1-yl]acetic acid [ACD/IUPAC Name]
1924188-02-2 [RN]
1H-1,2,3-Triazole-1-acetic acid, 4-(fluoromethyl)- [ACD/Index Name]
2-[4-(fluoromethyl)-1H-1,2,3-triazol-1-yl]acetic acid
Acide [4-(fluorométhyl)-1H-1,2,3-triazol-1-yl]acétique [French] [ACD/IUPAC Name]
(4-Fluoromethyl-[1,2,3]triazol-1-yl)-acetic acid
2-(4-(fluoromethyl)-1H-1,2,3-triazol-1-yl)acetic acid
MFCD28955073

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 381.0±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 184.2±30.7 °C
    Index of Refraction: 1.594
    Molar Refractivity: 34.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.53
    ACD/LogD (pH 5.5): -2.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 13.7±0.5 10-24cm3
    Surface Tension: 54.7±7.0 dyne/cm
    Molar Volume: 102.1±7.0 cm3

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