ChemSpider 2D Image | 3-Chloro-5-(3,5-difluorobenzyl)-1H-1,2,4-triazole | C9H6ClF2N3

3-Chloro-5-(3,5-difluorobenzyl)-1H-1,2,4-triazole

  • Molecular FormulaC9H6ClF2N3
  • Average mass229.614 Da
  • Monoisotopic mass229.021835 Da
  • ChemSpider ID24600476

More details:

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

1H-1,2,4-Triazole, 3-chloro-5-[(3,5-difluorophenyl)methyl]- [ACD/Index Name]
3-Chlor-5-(3,5-difluorbenzyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Chloro-5-(3,5-difluorobenzyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
3-Chloro-5-(3,5-difluorobenzyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1219577-81-7 [RN]
3-Chloro-5-(3,5-difluoro-benzyl)-1H-[1,2,4]triazole
3-chloro-5-[(3,5-difluorophenyl)methyl]-1H-1,2,4-triazole
AGN-PC-085AVN
AKOS005668668
AKOS013587403
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 385.4±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 186.9±30.7 °C
    Index of Refraction: 1.578
    Molar Refractivity: 51.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.06
    ACD/KOC (pH 5.5): 388.10
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 26.95
    ACD/KOC (pH 7.4): 359.89
    Polar Surface Area: 42 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 154.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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