Found 2 results

Search term: XUIURRYWQBBCCK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {3,5-Bis[(~2~H_3_)methyloxy]phenyl}boronic acid | C8H5D6BO4

{3,5-Bis[(2H3)methyloxy]phenyl}boronic acid

  • Molecular FormulaC8H5D6BO4
  • Average mass188.018 Da
  • Monoisotopic mass188.112701 Da
  • ChemSpider ID27459385

  • Non-standard isotope - Non-standard isotope

More details:

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

{3,5-Bis[(2H3)methyloxy]phenyl}boronic acid [ACD/IUPAC Name]
{3,5-Bis[(2H3)methyloxy]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3,5-bis[(2H3)méthyloxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3,5-bis(methyl-d3-oxy)phenyl]- [ACD/Index Name]
(3,5-Dimethoxy-d6)-phenylboronic 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: 371.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 178.5±30.7 °C
Index of Refraction: 1.518
Molar Refractivity: 46.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 136.16
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 89.27
Polar Surface Area: 59 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 151.9±5.0 cm3

Click to predict properties on the Chemicalize site


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