ChemSpider 2D Image | {[3-(4-Chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetic acid | C18H13ClO5

{[3-(4-Chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetic acid

  • Molecular FormulaC18H13ClO5
  • Average mass344.746 Da
  • Monoisotopic mass344.045166 Da
  • ChemSpider ID21685914

More details:

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

{[3-(4-Chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetic acid [ACD/IUPAC Name]
{[3-(4-Chlorphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
2-((3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetic acid
929417-54-9 [RN]
Acetic acid, 2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]- [ACD/Index Name]
Acide {[3-(4-chlorophényl)-2-méthyl-4-oxo-4H-chromén-7-yl]oxy}acétique [French] [ACD/IUPAC Name]
([3-(4-Chlorophenyl)-2-methyl-4-oxo-4h-chromen-7-yl]oxy)acetic acid
[3-(4-Chloro-phenyl)-2-methyl-4-oxo-4H-chromen-7-yloxy]-acetic acid
2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetic acid
2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 543.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 282.5±30.1 °C
    Index of Refraction: 1.628
    Molar Refractivity: 86.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 1.57
    ACD/KOC (pH 5.5): 9.60
    ACD/LogD (pH 7.4): 0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 73 Å2
    Polarizability: 34.4±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 244.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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