ChemSpider 2D Image | 1-(4-Chloro-2-pyrimidinyl)-3-azetidinecarboxylic acid | C8H8ClN3O2

1-(4-Chloro-2-pyrimidinyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC8H8ClN3O2
  • Average mass213.621 Da
  • Monoisotopic mass213.030502 Da
  • ChemSpider ID27458609

More details:

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

1-(4-Chlor-2-pyrimidinyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(4-Chloro-2-pyrimidinyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1-(4-chloropyrimidin-2-yl)azetidine-3-carboxylic acid
1289388-50-6 [RN]
3-Azetidinecarboxylic acid, 1-(4-chloro-2-pyrimidinyl)- [ACD/Index Name]
Acide 1-(4-chloro-2-pyrimidinyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(4-Chloropyrimidin-2-yl)-azetidine-3-carboxylic acid
1-(4-Chloro-pyrimidin-2-yl)-azetidine-3-carboxylic acid
MFCD18837437

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 454.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.2±3.0 kJ/mol
    Flash Point: 228.6±31.5 °C
    Index of Refraction: 1.635
    Molar Refractivity: 49.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): -1.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 79.8±3.0 dyne/cm
    Molar Volume: 136.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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