ChemSpider 2D Image | [1-(4-Chlorophenyl)-1H-pyrazol-4-yl]boronic acid | C9H8BClN2O2

[1-(4-Chlorophenyl)-1H-pyrazol-4-yl]boronic acid

  • Molecular FormulaC9H8BClN2O2
  • Average mass222.436 Da
  • Monoisotopic mass222.036743 Da
  • ChemSpider ID27462690

More details:

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

[1-(4-Chlorophenyl)-1H-pyrazol-4-yl]boronic acid [ACD/IUPAC Name]
[1-(4-Chlorphenyl)-1H-pyrazol-4-yl]borsäure [German] [ACD/IUPAC Name]
Acide [1-(4-chlorophényl)-1H-pyrazol-4-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-(4-chlorophenyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
1-(4-Chlorophenyl)-1H-pyrazole-4-boronic acid
1-(4-CHLOROPHENYL)PYRAZOL-4-YLBORONIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 415.9±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 205.3±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): 18.91
ACD/KOC (pH 5.5): 280.91
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 51.31
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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