ChemSpider 2D Image | 2-(Bromomethyl)-1-{2-[(difluoromethyl)sulfonyl]phenyl}pyrrolidine | C12H14BrF2NO2S

2-(Bromomethyl)-1-{2-[(difluoromethyl)sulfonyl]phenyl}pyrrolidine

  • Molecular FormulaC12H14BrF2NO2S
  • Average mass354.211 Da
  • Monoisotopic mass352.989655 Da
  • ChemSpider ID47464104

More details:

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

2-(Brommethyl)-1-{2-[(difluormethyl)sulfonyl]phenyl}pyrrolidin [German] [ACD/IUPAC Name]
2-(Bromomethyl)-1-{2-[(difluoromethyl)sulfonyl]phenyl}pyrrolidine [ACD/IUPAC Name]
2-(Bromométhyl)-1-{2-[(difluorométhyl)sulfonyl]phényl}pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 2-(bromomethyl)-1-[2-[(difluoromethyl)sulfonyl]phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 464.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.9±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.05
ACD/KOC (pH 5.5): 545.80
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.74
ACD/KOC (pH 7.4): 553.81
Polar Surface Area: 46 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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