ChemSpider 2D Image | 7-bromo-5H-pyrrolo[3,2-d]pyrimidin-4-ol | C6H4BrN3O

7-bromo-5H-pyrrolo[3,2-d]pyrimidin-4-ol

  • Molecular FormulaC6H4BrN3O
  • Average mass214.020 Da
  • Monoisotopic mass212.953766 Da
  • ChemSpider ID23347127

More details:

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

4H-pyrrolo[3,2-d]pyrimidin-4-one, 7-bromo-1,5-dihydro-
5H-Pyrrolo[3,2-d]pyrimidin-4-ol, 7-bromo- [ACD/Index Name]
7-Brom-5H-pyrrolo[3,2-d]pyrimidin-4-ol [German] [ACD/IUPAC Name]
7-Bromo-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
7-bromo-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
7-bromo-3H,5H-pyrrolo[3,2-d]pyrimidin-4-one
7-bromo-5H-pyrrolo[3,2-d]pyrimidin-4-ol [ACD/IUPAC Name]
7-Bromo-5H-pyrrolo[3,2-d]pyrimidin-4-ol [French] [ACD/IUPAC Name]
93587-23-6 [RN]
[93587-23-6] [RN]
More...

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: 2.1±0.1 g/cm3
    Boiling Point: 444.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 222.4±27.3 °C
    Index of Refraction: 1.807
    Molar Refractivity: 44.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.23
    ACD/LogD (pH 5.5): -0.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.37
    ACD/LogD (pH 7.4): -0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.97
    Polar Surface Area: 62 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 98.8±3.0 dyne/cm
    Molar Volume: 102.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement