ChemSpider 2D Image | 5-(Benzyloxy)-2-pyrimidinecarbonitrile | C12H9N3O

5-(Benzyloxy)-2-pyrimidinecarbonitrile

  • Molecular FormulaC12H9N3O
  • Average mass211.219 Da
  • Monoisotopic mass211.074554 Da
  • ChemSpider ID24022390

More details:

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

166672-22-6 [RN]
2-Pyrimidinecarbonitrile, 5-(phenylmethoxy)- [ACD/Index Name]
5-(Benzyloxy)-2-pyrimidincarbonitril [German] [ACD/IUPAC Name]
5-(Benzyloxy)-2-pyrimidinecarbonitrile [ACD/IUPAC Name]
5-(Benzyloxy)-2-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-(Benzyloxy)pyrimidine-2-carbonitrile
[166672-22-6] [RN]
5-(benzyloxy)-2-cyanopyrimidine
5-(Benzyloxy)pyrimidine [ACD/IUPAC Name]
5-(Benzyloxy)pyrimidine-2-Carbonitrile (en)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 406.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±3.0 kJ/mol
    Flash Point: 199.5±26.5 °C
    Index of Refraction: 1.604
    Molar Refractivity: 58.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.34
    ACD/KOC (pH 5.5): 144.98
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.34
    ACD/KOC (pH 7.4): 144.98
    Polar Surface Area: 59 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 63.7±5.0 dyne/cm
    Molar Volume: 168.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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