ChemSpider 2D Image | 3-(2-Bromophenoxy)-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one | C23H21BrF3NO4

3-(2-Bromophenoxy)-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

  • Molecular FormulaC23H21BrF3NO4
  • Average mass512.316 Da
  • Monoisotopic mass511.060608 Da
  • ChemSpider ID4822457

More details:

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

3-(2-Bromophenoxy)-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one [ACD/IUPAC Name]
3-(2-Bromophénoxy)-7-hydroxy-8-[(3-méthyl-1-pipéridinyl)méthyl]-2-(trifluorométhyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
3-(2-bromophenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
3-(2-Bromphenoxy)-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluormethyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)- [ACD/Index Name]
piperidinium, 1-[[3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-8-yl]methyl]-3-methyl-, inner salt
3-(2-Bromo-phenoxy)-7-hydroxy-8-(3-methyl-piperidin-1-ylmethyl)-2-trifluoromethyl-chromen-4-one
3-(2-bromophenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
3-(2-bromophenoxy)-7-hydroxy-8-[(3-methylpiperidyl)methyl]-2-(trifluoromethyl)chromen-4-one
3-(2-bromophenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 532.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.8±3.0 kJ/mol
    Flash Point: 275.8±30.1 °C
    Index of Refraction: 1.597
    Molar Refractivity: 114.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.50
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 25.79
    ACD/KOC (pH 5.5): 63.48
    ACD/LogD (pH 7.4): 3.29
    ACD/BCF (pH 7.4): 51.40
    ACD/KOC (pH 7.4): 126.52
    Polar Surface Area: 59 Å2
    Polarizability: 45.5±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 336.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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