ChemSpider 2D Image | [1-(5-Chloro-2-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid | C7H6BClN4O2

[1-(5-Chloro-2-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid

  • Molecular FormulaC7H6BClN4O2
  • Average mass224.412 Da
  • Monoisotopic mass224.027237 Da
  • ChemSpider ID53602678

More details:

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

[1-(5-Chlor-2-pyrimidinyl)-1H-pyrazol-4-yl]borsäure [German] [ACD/IUPAC Name]
[1-(5-Chloro-2-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid [ACD/IUPAC Name]
Acide [1-(5-chloro-2-pyrimidinyl)-1H-pyrazol-4-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-(5-chloro-2-pyrimidinyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
1-(5-Chloro-2-pyrimidyl)pyrazole-4-boronic acid
2225169-84-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 545.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.6±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 54.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.72
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.85
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.22
Polar Surface Area: 84 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 142.1±7.0 cm3

Click to predict properties on the Chemicalize site


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