ChemSpider 2D Image | (4-~2~H)-5-Pyrimidinylboronic acid | C4H4DBN2O2

(4-2H)-5-Pyrimidinylboronic acid

  • Molecular FormulaC4H4DBN2O2
  • Average mass124.912 Da
  • Monoisotopic mass125.050682 Da
  • ChemSpider ID82955163

  • Non-standard isotope - Non-standard isotope

More details:

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

(4-2H)-5-Pyrimidinylboronic acid [ACD/IUPAC Name]
(4-2H)-5-Pyrimidinylborsäure [German] [ACD/IUPAC Name]
Acide (4-2H)-5-pyrimidinylboronique [French] [ACD/IUPAC Name]
Boronic acid, B-5-pyrimidinyl-4-d- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 334.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.2±25.7 °C
Index of Refraction: 1.535
Molar Refractivity: 28.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 92.8±5.0 cm3

Click to predict properties on the Chemicalize site


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