ChemSpider 2D Image | METHYL 5-(4-CYANOPHENYL)ISOXAZOLE-3-CARBOXYLATE | C12H8N2O3

METHYL 5-(4-CYANOPHENYL)ISOXAZOLE-3-CARBOXYLATE

  • Molecular FormulaC12H8N2O3
  • Average mass228.204 Da
  • Monoisotopic mass228.053497 Da
  • ChemSpider ID28553674

More details:

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

1375064-41-7 [RN]
3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-, methyl ester [ACD/Index Name]
5-(4-Cyanophényl)-1,2-oxazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(4-cyanophenyl)-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
METHYL 5-(4-CYANOPHENYL)ISOXAZOLE-3-CARBOXYLATE
Methyl-5-(4-cyanphenyl)-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
methyl5-(4-cyanophenyl)isoxazole-3-carboxylate
MFCD22192328 [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: 442.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.6±27.3 °C
    Index of Refraction: 1.586
    Molar Refractivity: 57.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.77
    ACD/KOC (pH 5.5): 283.89
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.77
    ACD/KOC (pH 7.4): 283.89
    Polar Surface Area: 76 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 171.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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