ChemSpider 2D Image | (2,3,4-~2~H_3_)Phenyl(~2~H_2_)boronic acid | C6H2D5BO2

(2,3,4-2H3)Phenyl(2H2)boronic acid

  • Molecular FormulaC6H2D5BO2
  • Average mass126.960 Da
  • Monoisotopic mass127.085297 Da
  • ChemSpider ID29330192
  • Non-standard isotope - Non-standard isotope


More details:






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

(2,3,4-2H3)Phenyl(2H2)boronic acid [ACD/IUPAC Name]
(2,3,4-2H3)Phenyl(2H2)borsäure [German] [ACD/IUPAC Name]
Acide (2,3,4-2H3)phényl(2H2)boronique [French] [ACD/IUPAC Name]
Boronic acid-d2, B-phenyl-2,3,4-d3- [ACD/Index Name]
Pentadeuterophenylboronic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 265.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 114.6±22.6 °C
Index of Refraction: 1.534
Molar Refractivity: 33.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.32
ACD/KOC (pH 5.5): 144.70
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 7.4): 134.82
Polar Surface Area: 40 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 107.1±5.0 cm3

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