ChemSpider 2D Image | 5-Chloro-2-methyl-1H-1,2,4-triazol-3(2H)-one | C3H4ClN3O

5-Chloro-2-methyl-1H-1,2,4-triazol-3(2H)-one

  • Molecular FormulaC3H4ClN3O
  • Average mass133.536 Da
  • Monoisotopic mass133.004288 Da
  • ChemSpider ID25070715

More details:

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

22354-86-5 [RN]
3H-1,2,4-Triazol-3-one, 5-chloro-2,4-dihydro-2-methyl- [ACD/Index Name]
5-Chlor-2-methyl-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-Chloro-2-methyl-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-Chloro-2-méthyl-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
5-Chloro-2-methyl-1H-1,2,4-triazol-3(2H)-one
3-chloro-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
5-chloro-2-methyl-1H-1,2,4-triazol-3-one
5-chloro-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
95%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.671
    Molar Refractivity: 29.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.77
    ACD/LogD (pH 5.5): -0.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.55
    ACD/LogD (pH 7.4): -1.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 45 Å2
    Polarizability: 11.6±0.5 10-24cm3
    Surface Tension: 59.1±7.0 dyne/cm
    Molar Volume: 77.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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