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Search term: 1026029-33-3 (Found by approved synonym)
ChemSpider 2D Image | Methyl 4-(2-chloro-4-pyrimidinyl)benzoate | C12H9ClN2O2

Methyl 4-(2-chloro-4-pyrimidinyl)benzoate

  • Molecular FormulaC12H9ClN2O2
  • Average mass248.665 Da
  • Monoisotopic mass248.035248 Da
  • ChemSpider ID35519175

More details:

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

1026029-33-3 [RN]
4-(2-Chloro-4-pyrimidinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-chloro-4-pyrimidinyl)-, methyl ester [ACD/Index Name]
Methyl 4-(2-chloro-4-pyrimidinyl)benzoate [ACD/IUPAC Name]
Methyl 4-(2-chloropyrimidin-4-yl)benzoate
Methyl-4-(2-chlor-4-pyrimidinyl)benzoat [German] [ACD/IUPAC Name]
CS-12549
MFCD25954407

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 435.0±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.1±3.0 kJ/mol
    Flash Point: 216.9±24.0 °C
    Index of Refraction: 1.581
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 50.14
    ACD/KOC (pH 5.5): 573.56
    ACD/LogD (pH 7.4): 2.54
    ACD/BCF (pH 7.4): 50.14
    ACD/KOC (pH 7.4): 573.56
    Polar Surface Area: 52 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 191.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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