ChemSpider 2D Image | Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate | C9H10Cl2N2O2

Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate

  • Molecular FormulaC9H10Cl2N2O2
  • Average mass249.094 Da
  • Monoisotopic mass248.011932 Da
  • ChemSpider ID43055147

More details:

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

1295516-49-2 [RN]
3-(4,6-Dichloro-5-pyrimidinyl)butanoate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinepropanoic acid, 4,6-dichloro-β-methyl-, methyl ester [ACD/Index Name]
Methyl 3-(4,6-dichloro-5-pyrimidinyl)butanoate [ACD/IUPAC Name]
Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate
Methyl-3-(4,6-dichlor-5-pyrimidinyl)butanoat [German] [ACD/IUPAC Name]
CS-12120
methyl 3-(4,6-dichloropyrimidin-5-yl)butanoate
MFCD27943097

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 317.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.9±3.0 kJ/mol
    Flash Point: 146.1±26.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 57.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.33
    ACD/KOC (pH 5.5): 222.26
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.33
    ACD/KOC (pH 7.4): 222.26
    Polar Surface Area: 52 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 186.4±3.0 cm3

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