ChemSpider 2D Image | (2,2-~2~H_2_)-1,3-Benzodioxol-5-ylboronic acid | C7H5D2BO4

(2,2-2H2)-1,3-Benzodioxol-5-ylboronic acid

  • Molecular FormulaC7H5D2BO4
  • Average mass167.951 Da
  • Monoisotopic mass168.056290 Da
  • ChemSpider ID27460323

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2-2H2)-1,3-Benzodioxol-5-ylboronic acid [ACD/IUPAC Name]
(2,2-2H2)-1,3-Benzodioxol-5-ylborsäure [German] [ACD/IUPAC Name]
Acide (2,2-2H2)-1,3-benzodioxol-5-ylboronique [French] [ACD/IUPAC Name]
Boronic acid, B-1,3-benzodioxol-5-yl-2,2-d2- [ACD/Index Name]
3,4-(Methylene-d2)-dioxyphenylboronic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 347.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 163.9±30.7 °C
Index of Refraction: 1.590
Molar Refractivity: 39.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.48
ACD/KOC (pH 5.5): 101.81
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 94.03
Polar Surface Area: 59 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 116.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement