ChemSpider 2D Image | 1-[(2-Bromo-4,6-difluorophenyl)sulfonyl]azepane | C12H14BrF2NO2S

1-[(2-Bromo-4,6-difluorophenyl)sulfonyl]azepane

  • Molecular FormulaC12H14BrF2NO2S
  • Average mass354.211 Da
  • Monoisotopic mass352.989655 Da
  • ChemSpider ID32846073

More details:

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

1-[(2-Brom-4,6-difluorphenyl)sulfonyl]azepan [German] [ACD/IUPAC Name]
1-[(2-Bromo-4,6-difluorophenyl)sulfonyl]azepane [ACD/IUPAC Name]
1-[(2-Bromo-4,6-difluorophényl)sulfonyl]azépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[(2-bromo-4,6-difluorophenyl)sulfonyl]hexahydro- [ACD/Index Name]
1-(2-bromo-4,6-difluorobenzenesulfonyl)azepane

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

Density: 1.6±0.1 g/cm3
Boiling Point: 404.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.3±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.62
ACD/KOC (pH 5.5): 1767.89
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.62
ACD/KOC (pH 7.4): 1767.89
Polar Surface Area: 46 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

Click to predict properties on the Chemicalize site


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