ChemSpider 2D Image | 3-[(1,3-Benzodioxol-5-yloxy)methyl]-6-[(2,4-dichlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C18H12Cl2N4O4S

3-[(1,3-Benzodioxol-5-yloxy)methyl]-6-[(2,4-dichlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC18H12Cl2N4O4S
  • Average mass451.283 Da
  • Monoisotopic mass449.995636 Da
  • ChemSpider ID22498145

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-[(1,3-benzodioxol-5-yloxy)methyl]-6-[(2,4-dichlorophenoxy)methyl]- [ACD/Index Name]
3-[(1,3-Benzodioxol-5-yloxy)methyl]-6-[(2,4-dichlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-[(1,3-Benzodioxol-5-yloxy)méthyl]-6-[(2,4-dichlorophénoxy)méthyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
3-[(1,3-Benzodioxol-5-yloxy)methyl]-6-[(2,4-dichlorphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
1081125-89-4 [RN]
3-(1,3-benzodioxol-5-yloxymethyl)-6-[(2,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(Benzo[1,3]dioxol-5-yloxymethyl)-6-(2,4-dichloro-phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

    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: 1.760
    Molar Refractivity: 108.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 4.34
    ACD/BCF (pH 5.5): 1174.80
    ACD/KOC (pH 5.5): 5483.78
    ACD/LogD (pH 7.4): 4.34
    ACD/BCF (pH 7.4): 1174.80
    ACD/KOC (pH 7.4): 5483.79
    Polar Surface Area: 108 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 66.4±7.0 dyne/cm
    Molar Volume: 263.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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