ChemSpider 2D Image | MFCD09878353 | C9H8BClN2O2

MFCD09878353

  • Molecular FormulaC9H8BClN2O2
  • Average mass222.436 Da
  • Monoisotopic mass222.036743 Da
  • ChemSpider ID25950024

More details:

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

[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]boronic acid [ACD/IUPAC Name]
[1-(3-Chlorphenyl)-1H-pyrazol-4-yl]borsäure [German] [ACD/IUPAC Name]
1-(3-chlorophenyl)-1H-pyrazol-4-ylboronic acid
1-(3-Chlorophenyl)pyrazole-4-boronic acid
1072945-88-0 [RN]
Acide [1-(3-chlorophényl)-1H-pyrazol-4-yl]boronique [French] [ACD/IUPAC Name]
B-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Boronic acid, B-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
MFCD09878353
(1-(3-Chlorophenyl)-1H-pyrazol-4-yl)boronic acid
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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: 429.9±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 213.8±30.4 °C
    Index of Refraction: 1.609
    Molar Refractivity: 57.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 18.89
    ACD/KOC (pH 5.5): 280.57
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 3.39
    ACD/KOC (pH 7.4): 50.40
    Polar Surface Area: 58 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 50.2±7.0 dyne/cm
    Molar Volume: 164.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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