ChemSpider 2D Image | Methyl 5-chloro-1H-pyrazole-3-carboxylate | C5H5ClN2O2

Methyl 5-chloro-1H-pyrazole-3-carboxylate

  • Molecular FormulaC5H5ClN2O2
  • Average mass160.558 Da
  • Monoisotopic mass160.003952 Da
  • ChemSpider ID39531018

More details:

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

1810069-85-2 [RN]
1H-Pyrazole-3-carboxylic acid, 5-chloro-, methyl ester [ACD/Index Name]
5-Chloro-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-chlor-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
METHYL 3-CHLORO-1H-PYRAZOLE-5-CARBOXYLATE
METHYL 5-CHLORO-2H-PYRAZOLE-3-CARBOXYLATE
MFCD29037474

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 330.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±3.0 kJ/mol
    Flash Point: 153.9±22.3 °C
    Index of Refraction: 1.553
    Molar Refractivity: 35.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 5.53
    ACD/KOC (pH 5.5): 118.23
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 4.59
    ACD/KOC (pH 7.4): 98.25
    Polar Surface Area: 55 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 55.0±3.0 dyne/cm
    Molar Volume: 110.8±3.0 cm3

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