ChemSpider 2D Image | 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one | C6H4BrN3O

7-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

  • Molecular FormulaC6H4BrN3O
  • Average mass214.020 Da
  • Monoisotopic mass212.953766 Da
  • ChemSpider ID34065977

More details:

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

1370007-53-6 [RN]
7-bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
7-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one [ACD/IUPAC Name]
7-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one [French] [ACD/IUPAC Name]
7-Brompyrrolo[2,1-f][1,2,4]triazin-4(3H)-on [German] [ACD/IUPAC Name]
Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one, 7-bromo- [ACD/Index Name]
7-bromo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
7-Bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
7-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.798
    Molar Refractivity: 43.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.47
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.42
    ACD/KOC (pH 5.5): 65.12
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 27.92
    Polar Surface Area: 46 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 73.9±7.0 dyne/cm
    Molar Volume: 102.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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