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

[2-Chloro-4-(1H-imidazol-1-yl)phenyl]boronic acid

  • Molecular FormulaC9H8BClN2O2
  • Average mass222.436 Da
  • Monoisotopic mass222.036743 Da
  • ChemSpider ID30849153

More details:

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

[2-Chlor-4-(1H-imidazol-1-yl)phenyl]borsäure [German] [ACD/IUPAC Name]
[2-Chloro-4-(1H-imidazol-1-yl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [2-chloro-4-(1H-imidazol-1-yl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-chloro-4-(1H-imidazol-1-yl)phenyl]- [ACD/Index Name]
2-Chloro-4-(imidazol-1-yl)phenylboronic 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: 454.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±31.5 °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: 1.95
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 10.64
ACD/KOC (pH 5.5): 173.38
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.41
ACD/KOC (pH 7.4): 186.01
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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