ChemSpider 2D Image | 4-[(3-Bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C28H23BrN2O6

4-[(3-Bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC28H23BrN2O6
  • Average mass563.396 Da
  • Monoisotopic mass562.073914 Da
  • ChemSpider ID12546061

More details:

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

3H-Pyrazol-3-one, 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(3-Brom-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(3-Bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(3-Bromo-4-hydroxy-5-méthoxyphényl)(4-hydroxy-2-oxo-2H-chromén-3-yl)méthyl]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(5-bromo-4-hydroxy-3-methoxyphenyl)methyl]-4-hydroxychromen-2-one
4-((3-bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2h-chromen-3-yl)methyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
4-((3-bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
4-[(3-Bromo-4-hydroxy-5-methoxy-phenyl)-(4-hydroxy-2-oxo-2H-chromen-3-yl)-methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 699.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±3.0 kJ/mol
    Flash Point: 377.0±34.3 °C
    Index of Refraction: 1.698
    Molar Refractivity: 139.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.13
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 78.16
    ACD/KOC (pH 5.5): 398.87
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 1.19
    ACD/KOC (pH 7.4): 6.07
    Polar Surface Area: 100 Å2
    Polarizability: 55.2±0.5 10-24cm3
    Surface Tension: 67.4±3.0 dyne/cm
    Molar Volume: 361.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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