ChemSpider 2D Image | ethyl 2-(5-chloro-1,2,4-triazol-1-yl)propanoate | C7H10ClN3O2

ethyl 2-(5-chloro-1,2,4-triazol-1-yl)propanoate

  • Molecular FormulaC7H10ClN3O2
  • Average mass203.626 Da
  • Monoisotopic mass203.046158 Da
  • ChemSpider ID32843863

More details:

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

1823829-53-3 [RN]
1H-1,2,4-Triazole-1-acetic acid, 5-chloro-α-methyl-, ethyl ester [ACD/Index Name]
2-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
ethyl 2-(5-chloro-1,2,4-triazol-1-yl)propanoate
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate [ACD/IUPAC Name]
Ethyl-2-(5-chlor-1H-1,2,4-triazol-1-yl)propanoat [German] [ACD/IUPAC Name]
2-(5-Chloro-[1,2,4]triazol-1-yl)-propionic acid ethyl ester
MFCD28969773

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 326.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 151.1±28.4 °C
    Index of Refraction: 1.572
    Molar Refractivity: 48.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 2.75
    ACD/KOC (pH 5.5): 71.79
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.75
    ACD/KOC (pH 7.4): 71.79
    Polar Surface Area: 57 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 44.1±7.0 dyne/cm
    Molar Volume: 148.3±7.0 cm3

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