ChemSpider 2D Image | 3-Azetidinyl trichloroacetate | C5H6Cl3NO2

3-Azetidinyl trichloroacetate

  • Molecular FormulaC5H6Cl3NO2
  • Average mass218.466 Da
  • Monoisotopic mass216.946411 Da
  • ChemSpider ID25073358

More details:

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

1219956-76-9 [RN]
3-Azetidinyl trichloroacetate [ACD/IUPAC Name]
3-Azetidinyl-trichloracetat [German] [ACD/IUPAC Name]
Acetic acid, 2,2,2-trichloro-, 3-azetidinyl ester [ACD/Index Name]
azetidin-3-yl 2,2,2-trichloroacetate
Trichloroacétate de 3-azétidinyle [French] [ACD/IUPAC Name]
3-Azetidinyl 2,2,2-trichloroacetate
3-azetidinyl2,2,2-trichloroacetate
MFCD13559710 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 239.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.6±3.0 kJ/mol
    Flash Point: 98.5±27.3 °C
    Index of Refraction: 1.529
    Molar Refractivity: 43.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): -0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 2.05
    ACD/KOC (pH 7.4): 34.28
    Polar Surface Area: 38 Å2
    Polarizability: 17.1±0.5 10-24cm3
    Surface Tension: 46.5±5.0 dyne/cm
    Molar Volume: 139.9±5.0 cm3

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