Found 2 results

Search term: PQCXFUXRTRESBD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [4-(Methoxycarbonyl)(~2~H_4_)phenyl]boronic acid | C8H5D4BO4

[4-(Methoxycarbonyl)(2H4)phenyl]boronic acid

  • Molecular FormulaC8H5D4BO4
  • Average mass183.990 Da
  • Monoisotopic mass184.084503 Da
  • ChemSpider ID53605319

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-(Methoxycarbonyl)(2H4)phenyl]boronic acid [ACD/IUPAC Name]
[4-(Methoxycarbonyl)(2H4)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-(méthoxycarbonyl)(2H4)phényl]boronique [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-borono-, methyl ester [ACD/Index Name]
4-Methoxycarbonyl(phenyl-2,3,5,6-d4)-boronic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 345.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 162.9±28.4 °C
Index of Refraction: 1.533
Molar Refractivity: 44.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.19
ACD/KOC (pH 5.5): 156.50
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.47
ACD/KOC (pH 7.4): 104.48
Polar Surface Area: 67 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 143.2±5.0 cm3

Click to predict properties on the Chemicalize site


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