ChemSpider 2D Image | 5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid | C5H5ClN2O2

5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC5H5ClN2O2
  • Average mass160.558 Da
  • Monoisotopic mass160.003952 Da
  • ChemSpider ID21402826

More details:

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

1173246-76-8 [RN]
1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl- [ACD/Index Name]
5-Chlor-1-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-1-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD00106211 [MDL number]
[1173246-76-8] [RN]
1416439-58-1 [RN]
5-Chloro-1-methyl-1H-pyrazole-3-carboxylicacid
5-chloro-1-methylpyrazole-3-carboxylic acid
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 322.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 148.6±22.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 36.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.71
    ACD/LogD (pH 7.4): -1.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 54.2±7.0 dyne/cm
    Molar Volume: 102.9±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement