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Search term: FWBFFIWGOXVTFA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(Bromomethyl)dibenzo[b,f]thiepine | C15H11BrS

3-(Bromomethyl)dibenzo[b,f]thiepine

  • Molecular FormulaC15H11BrS
  • Average mass303.217 Da
  • Monoisotopic mass301.976471 Da
  • ChemSpider ID62804468

More details:

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

3-(Brommethyl)dibenzo[b,f]thiepin [German] [ACD/IUPAC Name]
3-(Bromomethyl)dibenzo[b,f]thiepine [ACD/IUPAC Name]
3-(Bromométhyl)dibenzo[b,f]thiépine [French] [ACD/IUPAC Name]
Dibenzo[b,f]thiepin, 3-(bromomethyl)- [ACD/Index Name]
92055-55-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 411.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 202.4±28.4 °C
Index of Refraction: 1.691
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8963.04
ACD/KOC (pH 5.5): 23483.22
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8963.04
ACD/KOC (pH 7.4): 23483.22
Polar Surface Area: 25 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 206.1±3.0 cm3

Click to predict properties on the Chemicalize site


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