ChemSpider 2D Image | Methyl 3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoate | C6H8ClN3O2

Methyl 3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoate

  • Molecular FormulaC6H8ClN3O2
  • Average mass189.600 Da
  • Monoisotopic mass189.030502 Da
  • ChemSpider ID26456060

More details:

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

1279219-43-0 [RN]
1H-1,2,4-Triazole-5-propanoic acid, 3-chloro-, methyl ester [ACD/Index Name]
3-(3-Chloro-1H-1,2,4-triazol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(3-chlor-1H-1,2,4-triazol-5-yl)propanoat [German] [ACD/IUPAC Name]
AGN-PC-09NY0E
AKOS005747289
BBL032962
MCULE-2025721949
Methyl 3-(3-chloro-1H-1,2,4-triazol-5-yl)-propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 374.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 180.1±28.4 °C
    Index of Refraction: 1.538
    Molar Refractivity: 42.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): 0.48
    ACD/BCF (pH 5.5): 1.36
    ACD/KOC (pH 5.5): 43.37
    ACD/LogD (pH 7.4): 0.45
    ACD/BCF (pH 7.4): 1.27
    ACD/KOC (pH 7.4): 40.48
    Polar Surface Area: 68 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 56.8±3.0 dyne/cm
    Molar Volume: 135.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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