ChemSpider 2D Image | 5-Chloro-1H-pyrazole-3-carboxylic acid | C4H3ClN2O2

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

  • Molecular FormulaC4H3ClN2O2
  • Average mass146.532 Da
  • Monoisotopic mass145.988312 Da
  • ChemSpider ID23501235

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-chloro- [ACD/Index Name]
5-Chlor-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
881668-70-8 [RN]
Acide 5-chloro-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
[881668-70-8] [RN]
106012-58-2 [RN]
1H-Pyrazole-3-carboxylicacid, 5-chloro
3-Chloro-1H-pyrazole-5-carboxylic acid
3-chloropyrazole-5-carboxylate
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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: 1.7±0.1 g/cm3
    Boiling Point: 445.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 223.3±23.2 °C
    Index of Refraction: 1.635
    Molar Refractivity: 30.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.10
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.55
    ACD/LogD (pH 7.4): -1.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 12.1±0.5 10-24cm3
    Surface Tension: 84.4±3.0 dyne/cm
    Molar Volume: 85.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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