ChemSpider 2D Image | MFCD23106342 | C6H4BrN3O

MFCD23106342

  • Molecular FormulaC6H4BrN3O
  • Average mass214.020 Da
  • Monoisotopic mass212.953766 Da
  • ChemSpider ID29784181

More details:

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

1403767-05-4 [RN]
5-bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
5-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one [ACD/IUPAC Name]
5-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one [French] [ACD/IUPAC Name]
5-Brompyrrolo[2,1-f][1,2,4]triazin-4(1H)-on [German] [ACD/IUPAC Name]
MFCD23106342
Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one, 5-bromo- [ACD/Index Name]
5-bromo-1H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
5-bromo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Chemistry 9034
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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): 0.76
    ACD/BCF (pH 5.5): 2.22
    ACD/KOC (pH 5.5): 61.07
    ACD/LogD (pH 7.4): 0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.13
    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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