ChemSpider 2D Image | [1-(3-Chlorophenyl)-1H-pyrazol-3-yl]boronic acid | C9H8BClN2O2

[1-(3-Chlorophenyl)-1H-pyrazol-3-yl]boronic acid

  • Molecular FormulaC9H8BClN2O2
  • Average mass222.436 Da
  • Monoisotopic mass222.036743 Da
  • ChemSpider ID76586827

More details:

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

[1-(3-Chlorophenyl)-1H-pyrazol-3-yl]boronic acid [ACD/IUPAC Name]
[1-(3-Chlorphenyl)-1H-pyrazol-3-yl]borsäure [German] [ACD/IUPAC Name]
Acide [1-(3-chlorophényl)-1H-pyrazol-3-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-(3-chlorophenyl)-1H-pyrazol-3-yl]- [ACD/Index Name]

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): 2.01
ACD/BCF (pH 5.5): 19.90
ACD/KOC (pH 5.5): 295.59
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 13.56
ACD/KOC (pH 7.4): 201.37
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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