ChemSpider 2D Image | [1-(6-Chloro-4-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid | C7H6BClN4O2

[1-(6-Chloro-4-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid

  • Molecular FormulaC7H6BClN4O2
  • Average mass224.412 Da
  • Monoisotopic mass224.027237 Da
  • ChemSpider ID26460943

More details:






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

[1-(6-Chlor-4-pyrimidinyl)-1H-pyrazol-4-yl]borsäure [German] [ACD/IUPAC Name]
[1-(6-Chloro-4-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid [ACD/IUPAC Name]
[1-(6-Chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
1072945-81-3 [RN]
Acide [1-(6-chloro-4-pyrimidinyl)-1H-pyrazol-4-yl]boronique [French] [ACD/IUPAC Name]
B-[1-(6-Chloro-4-pyrimidinyl)-1H-pyrazol-4-yl]boronic acid
Boronic acid, B-[1-(6-chloro-4-pyrimidinyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
(1-(6-Chloropyrimidin-4-yl)-1H-pyrazol-4-yl)boronic acid
(1-(6-Chloropyrimidin-4-yl)-1H-pyrazol-4-yl)boronicacid
[1072945-81-3]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 485.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 247.5±31.5 °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: 0.74
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 59.80
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.36
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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