ChemSpider 2D Image | [3-(4-Chloro-1H-pyrazol-1-yl)phenyl]boronic acid | C9H8BClN2O2

[3-(4-Chloro-1H-pyrazol-1-yl)phenyl]boronic acid

  • Molecular FormulaC9H8BClN2O2
  • Average mass222.436 Da
  • Monoisotopic mass222.036743 Da
  • ChemSpider ID112698243

More details:

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

[3-(4-Chlor-1H-pyrazol-1-yl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(4-Chloro-1H-pyrazol-1-yl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [3-(4-chloro-1H-pyrazol-1-yl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(4-chloro-1H-pyrazol-1-yl)phenyl]- [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: 433.6±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 216.0±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: 2.43
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.57
ACD/KOC (pH 5.5): 343.27
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 13.71
ACD/KOC (pH 7.4): 191.49
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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