ChemSpider 2D Image | MFCD15144599 | C6H4BrN3O

MFCD15144599

  • Molecular FormulaC6H4BrN3O
  • Average mass214.020 Da
  • Monoisotopic mass212.953766 Da
  • ChemSpider ID28469135

More details:

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

1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 5-bromo- [ACD/Index Name]
5-Brom[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
5-Bromo[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
5-Bromo[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
5-bromo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
864933-07-3 [RN]
MFCD15144599
5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
5-bromo-2h-[1,2,4]triazolo[4,3-a]pyridin-3-one
98%
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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: -0.81
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.66
    ACD/LogD (pH 7.4): -0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.66
    Polar Surface Area: 45 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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