Found 316 results

Search term: MF = 'C_{28}H_{24}ClF_{3}N_{2}O_{3}'
ChemSpider 2D Image | 4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-cyclohexanedione | C28H24ClF3N2O3

4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-cyclohexanedione

  • Molecular FormulaC28H24ClF3N2O3
  • Average mass528.950 Da
  • Monoisotopic mass528.142761 Da
  • ChemSpider ID4336731

More details:

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

1,3-Cyclohexanedione, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)- [ACD/Index Name]
4-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isochinolinyl)-1,3-cyclohexandion [German] [ACD/IUPAC Name]
4-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-5-(4-méthoxyphényl)-2-(1,2,3,4-tétrahydro-1-isoquinoléinyl)-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-cyclohexanedione [ACD/IUPAC Name]
1005123-60-3 [RN]
MFCD03012410 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 633.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.6±3.0 kJ/mol
    Flash Point: 336.7±31.5 °C
    Index of Refraction: 1.576
    Molar Refractivity: 131.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.83
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 16.76
    ACD/KOC (pH 5.5): 50.97
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 16.76
    ACD/KOC (pH 7.4): 50.99
    Polar Surface Area: 68 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 396.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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