ChemSpider 2D Image | 4-Bromo(2,2-~2~H_2_)-1,3-benzodioxole | C7H3D2BrO2

4-Bromo(2,2-2H2)-1,3-benzodioxole

  • Molecular FormulaC7H3D2BrO2
  • Average mass203.030 Da
  • Monoisotopic mass201.959839 Da
  • ChemSpider ID65383259

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzodioxole-2,2-d2, 4-bromo- [ACD/Index Name]
4-Brom(2,2-2H2)-1,3-benzodioxol [German] [ACD/IUPAC Name]
4-Bromo(2,2-2H2)-1,3-benzodioxole [ACD/IUPAC Name]
4-Bromo(2,2-2H2)-1,3-benzodioxole [French] [ACD/IUPAC Name]
1394036-81-7 [RN]
4-bromo(2,2-2H2)-1,3-dioxaindane
4-bromo(2,2-2H2)-2H-1,3-benzodioxole

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

Density: 1.7±0.1 g/cm3
Boiling Point: 238.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 109.7±19.8 °C
Index of Refraction: 1.603
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.90
ACD/KOC (pH 5.5): 571.67
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.90
ACD/KOC (pH 7.4): 571.67
Polar Surface Area: 18 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 116.8±3.0 cm3

Click to predict properties on the Chemicalize site


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