ChemSpider 2D Image | ETHYL 5-(CARBONOCHLORIDOYL)-1-METHYLPYRAZOLE-3-CARBOXYLATE | C8H9ClN2O3

ETHYL 5-(CARBONOCHLORIDOYL)-1-METHYLPYRAZOLE-3-CARBOXYLATE

  • Molecular FormulaC8H9ClN2O3
  • Average mass216.622 Da
  • Monoisotopic mass216.030167 Da
  • ChemSpider ID24751514

More details:

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

1197231-79-0 [RN]
1H-Pyrazole-3-carboxylic acid, 5-(chlorocarbonyl)-1-methyl-, ethyl ester [ACD/Index Name]
5-(Chlorocarbonyl)-1-méthyl-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ETHYL 5-(CARBONOCHLORIDOYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
ETHYL 5-(CARBONOCHLORIDOYL)-1-METHYLPYRAZOLE-3-CARBOXYLATE
Ethyl 5-(chlorocarbonyl)-1-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(chlorcarbonyl)-1-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
5-Chlorocarbonyl-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
5-Chlorocarbonyl-1-methyl-1H-pyrazole-3-carboxylicacid ethyl ester
AGN-PC-08VYB7
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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: 336.3±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.9±3.0 kJ/mol
    Flash Point: 157.2±23.7 °C
    Index of Refraction: 1.566
    Molar Refractivity: 51.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.54
    ACD/LogD (pH 5.5): 0.84
    ACD/BCF (pH 5.5): 2.55
    ACD/KOC (pH 5.5): 67.92
    ACD/LogD (pH 7.4): 0.84
    ACD/BCF (pH 7.4): 2.55
    ACD/KOC (pH 7.4): 67.92
    Polar Surface Area: 61 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 45.0±7.0 dyne/cm
    Molar Volume: 157.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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