ChemSpider 2D Image | 3-(4-Chlorophenyl)-2-pyrazinecarbaldehyde | C11H7ClN2O

3-(4-Chlorophenyl)-2-pyrazinecarbaldehyde

  • Molecular FormulaC11H7ClN2O
  • Average mass218.639 Da
  • Monoisotopic mass218.024689 Da
  • ChemSpider ID27471225

More details:

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

1404373-80-3 [RN]
2-Pyrazinecarboxaldehyde, 3-(4-chlorophenyl)- [ACD/Index Name]
3-(4-Chlorophenyl)-2-pyrazinecarbaldehyde [ACD/IUPAC Name]
3-(4-Chlorophényl)-2-pyrazinecarbaldéhyde [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-2-pyrazincarbaldehyd [German] [ACD/IUPAC Name]
3-(4-chlorophenyl)pyrazine-2-carbaldehyde
3-(4-chloro-phenyl)pyrazine-2-carbaldehyde
3-(4-Chloro-phenyl)-pyrazine-2-carbaldehyde
Chemistry 12931
MFCD21648492 [MDL number]

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

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 360.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.6±3.0 kJ/mol
    Flash Point: 172.0±27.9 °C
    Index of Refraction: 1.631
    Molar Refractivity: 58.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.70
    ACD/KOC (pH 5.5): 431.59
    ACD/LogD (pH 7.4): 2.31
    ACD/BCF (pH 7.4): 33.70
    ACD/KOC (pH 7.4): 431.59
    Polar Surface Area: 43 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 164.8±3.0 cm3

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