ChemSpider 2D Image | 2,4-Dichloro-5-ethyl-5H-pyrrolo[3,2-d]pyrimidine | C8H7Cl2N3

2,4-Dichloro-5-ethyl-5H-pyrrolo[3,2-d]pyrimidine

  • Molecular FormulaC8H7Cl2N3
  • Average mass216.067 Da
  • Monoisotopic mass215.001709 Da
  • ChemSpider ID28426548

More details:

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

129872-82-8 [RN]
2,4-Dichlor-5-ethyl-5H-pyrrolo[3,2-d]pyrimidin [German] [ACD/IUPAC Name]
2,4-Dichloro-5-ethyl-5H-pyrrolo[3,2-d]pyrimidine [ACD/IUPAC Name]
2,4-Dichloro-5-éthyl-5H-pyrrolo[3,2-d]pyrimidine [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,2-d]pyrimidine, 2,4-dichloro-5-ethyl- [ACD/Index Name]
[129872-82-8] [RN]
2,4-dichloro-5-ethylpyrrolo[3,2-d]pyrimidine
4-Phenyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
MFCD17013034 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 303.0±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.2±3.0 kJ/mol
    Flash Point: 137.0±22.9 °C
    Index of Refraction: 1.674
    Molar Refractivity: 53.4±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.19
    ACD/KOC (pH 5.5): 532.43
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.22
    ACD/KOC (pH 7.4): 532.71
    Polar Surface Area: 31 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 49.5±7.0 dyne/cm
    Molar Volume: 142.3±7.0 cm3

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