ChemSpider 2D Image | 1-(5-Bromo-2-pyrimidinyl)-3-azetidinecarboxylic acid | C8H8BrN3O2

1-(5-Bromo-2-pyrimidinyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC8H8BrN3O2
  • Average mass258.072 Da
  • Monoisotopic mass256.979980 Da
  • ChemSpider ID30768900

More details:

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

1-(5-Brom-2-pyrimidinyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(5-Bromo-2-pyrimidinyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-(5-bromo-2-pyrimidinyl)- [ACD/Index Name]
Acide 1-(5-bromo-2-pyrimidinyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(5-bromopyrimidin-2-yl)azetidine-3-carboxylic acid
1706440-68-7 [RN]
F2158-1843
MFCD26792906

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 475.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.8±3.0 kJ/mol
    Flash Point: 241.1±31.5 °C
    Index of Refraction: 1.656
    Molar Refractivity: 51.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): -0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 80.8±3.0 dyne/cm
    Molar Volume: 141.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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