ChemSpider 2D Image | 7-[(3-Chlorobenzyl)oxy]-4-(chloromethyl)-2H-chromen-2-one | C17H12Cl2O3

7-[(3-Chlorobenzyl)oxy]-4-(chloromethyl)-2H-chromen-2-one

  • Molecular FormulaC17H12Cl2O3
  • Average mass335.181 Da
  • Monoisotopic mass334.016357 Da
  • ChemSpider ID26459696

More details:

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

2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-[(3-chlorophenyl)methoxy]- [ACD/Index Name]
7-[(3-Chlorbenzyl)oxy]-4-(chlormethyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-[(3-Chlorobenzyl)oxy]-4-(chloromethyl)-2H-chromen-2-one [ACD/IUPAC Name]
7-[(3-Chlorobenzyl)oxy]-4-(chlorométhyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-(chloromethyl)-7-[(3-chlorophenyl)methoxy]-2H-chromen-2-one
911290-21-6 [RN]
CE-0118
MFCD16628294 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 499.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 199.5±27.7 °C
    Index of Refraction: 1.616
    Molar Refractivity: 85.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.63
    ACD/LogD (pH 5.5): 4.89
    ACD/BCF (pH 5.5): 3051.65
    ACD/KOC (pH 5.5): 10859.87
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 3051.65
    ACD/KOC (pH 7.4): 10859.87
    Polar Surface Area: 36 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 244.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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