ChemSpider 2D Image | (2-Bromo-6-hydroxy-4-methylphenyl)[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]methanone | C13H13BrN2O3

(2-Bromo-6-hydroxy-4-methylphenyl)[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]methanone

  • Molecular FormulaC13H13BrN2O3
  • Average mass325.158 Da
  • Monoisotopic mass324.010956 Da
  • ChemSpider ID35227434

More details:

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

(2-Brom-6-hydroxy-4-methylphenyl)[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]methanon [German] [ACD/IUPAC Name]
(2-Bromo-6-hydroxy-4-methylphenyl)[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]methanone [ACD/IUPAC Name]
(2-Bromo-6-hydroxy-4-méthylphényl)[1-(2-hydroxyéthyl)-1H-pyrazol-5-yl]méthanone [French] [ACD/IUPAC Name]
1858256-80-0 [RN]
Methanone, (2-bromo-6-hydroxy-4-methylphenyl)[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
(2-bromo-6-hydroxy-4-methylphenyl)-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone
methanone, (2-bromo-6-hydroxy-4-methylphenyl)[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]
MFCD29034984

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 488.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.5±3.0 kJ/mol
    Flash Point: 249.5±28.7 °C
    Index of Refraction: 1.649
    Molar Refractivity: 74.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.78
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 37.88
    ACD/KOC (pH 5.5): 459.14
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 5.58
    ACD/KOC (pH 7.4): 67.64
    Polar Surface Area: 75 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 54.3±7.0 dyne/cm
    Molar Volume: 203.9±7.0 cm3

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