ChemSpider 2D Image | {3-[(~2~H_3_)Methyloxy](~2~H_4_)phenyl}boronic acid | C7H2D7BO3

{3-[(2H3)Methyloxy](2H4)phenyl}boronic acid

  • Molecular FormulaC7H2D7BO3
  • Average mass158.999 Da
  • Monoisotopic mass159.108414 Da
  • ChemSpider ID53605298

  • Non-standard isotope - Non-standard isotope

More details:

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

{3-[(2H3)Methyloxy](2H4)phenyl}boronic acid [ACD/IUPAC Name]
{3-[(2H3)Methyloxy](2H4)phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-[(2H3)méthyloxy](2H4)phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-(methyl-d3-oxy)phenyl-2,3,4,6-d4]- [ACD/Index Name]
3-Methoxyphenyl-d7-boronic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 318.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 146.5±28.4 °C
Index of Refraction: 1.524
Molar Refractivity: 39.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.50
ACD/KOC (pH 5.5): 147.14
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.27
ACD/KOC (pH 7.4): 122.97
Polar Surface Area: 50 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 129.6±5.0 cm3

Click to predict properties on the Chemicalize site


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