ChemSpider 2D Image | Ethyl [4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]acetate | C11H11ClN4O3

Ethyl [4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]acetate

  • Molecular FormulaC11H11ClN4O3
  • Average mass282.683 Da
  • Monoisotopic mass282.051971 Da
  • ChemSpider ID23080330

More details:

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

[4-(2-Chlorophényl)-5-oxo-4,5-dihydro-1H-tétrazol-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Tetrazole-1-acetic acid, 4-(2-chlorophenyl)-4,5-dihydro-5-oxo-, ethyl ester [ACD/Index Name]
Ethyl [4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[4-(2-chlorphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]acetat [German] [ACD/IUPAC Name]
ethyl 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)acetate
ethyl 2-[4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl]acetate
MFCD09416962

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 359.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 171.0±30.7 °C
    Index of Refraction: 1.641
    Molar Refractivity: 69.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 15.51
    ACD/KOC (pH 5.5): 247.63
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 15.51
    ACD/KOC (pH 7.4): 247.63
    Polar Surface Area: 75 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 56.2±7.0 dyne/cm
    Molar Volume: 193.2±7.0 cm3

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