ChemSpider 2D Image | 7-Bromo-8-[bromo(1-methylcyclopentyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine | C16H20Br2O2

7-Bromo-8-[bromo(1-methylcyclopentyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine

  • Molecular FormulaC16H20Br2O2
  • Average mass404.137 Da
  • Monoisotopic mass401.983002 Da
  • ChemSpider ID36808062

More details:

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

2H-1,5-Benzodioxepin, 7-bromo-8-[bromo(1-methylcyclopentyl)methyl]-3,4-dihydro- [ACD/Index Name]
7-Brom-8-[brom(1-methylcyclopentyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin [German] [ACD/IUPAC Name]
7-Bromo-8-[bromo(1-methylcyclopentyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine [ACD/IUPAC Name]
7-Bromo-8-[bromo(1-méthylcyclopentyl)méthyl]-3,4-dihydro-2H-1,5-benzodioxépine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 428.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 177.3±27.2 °C
Index of Refraction: 1.583
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11289.33
ACD/KOC (pH 5.5): 27700.57
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11289.33
ACD/KOC (pH 7.4): 27700.57
Polar Surface Area: 18 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site


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