ChemSpider 2D Image | 4-(4-Chlorobenzyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one | C11H11ClN2O

4-(4-Chlorobenzyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC11H11ClN2O
  • Average mass222.671 Da
  • Monoisotopic mass222.055984 Da
  • ChemSpider ID23365523

More details:

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

1049119-02-9 [RN]
3H-Pyrazol-3-one, 4-[(4-chlorophenyl)methyl]-2,4-dihydro-5-methyl- [ACD/Index Name]
4-(4-Chlorbenzyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-5-méthyl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-[(4-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
4-(4-Chlorobenzyl)-3-methyl-1H-pyrazol-5(4H)-one
4-(4-Chloro-benzyl)-5-methyl-2,4-dihydro-pyrazol-3-one
4-(4-chlorobenzyl)-5-methyl-4H-pyrazol-3-ol
4-(4-Chloro-benzyl)-5-methyl-4H-pyrazol-3-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.628
    Molar Refractivity: 59.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 2.00
    ACD/BCF (pH 5.5): 19.58
    ACD/KOC (pH 5.5): 292.41
    ACD/LogD (pH 7.4): 2.00
    ACD/BCF (pH 7.4): 19.62
    ACD/KOC (pH 7.4): 293.06
    Polar Surface Area: 41 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 45.6±7.0 dyne/cm
    Molar Volume: 167.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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