ChemSpider 2D Image | 3-Bromo-1-(phenylsulfonyl)-4-piperidinone | C11H12BrNO3S

3-Bromo-1-(phenylsulfonyl)-4-piperidinone

  • Molecular FormulaC11H12BrNO3S
  • Average mass318.187 Da
  • Monoisotopic mass316.972107 Da
  • ChemSpider ID28569621

More details:

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

1-(Benzenesulfonyl)-3-bromopiperidin-4-one
3-Brom-1-(phenylsulfonyl)-4-piperidinon [German] [ACD/IUPAC Name]
3-Bromo-1-(phenylsulfonyl)-4-piperidinone [ACD/IUPAC Name]
3-Bromo-1-(phénylsulfonyl)-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 3-bromo-1-(phenylsulfonyl)- [ACD/Index Name]
919491-04-6 [RN]
3-Bromo-1-(phenylsulfonyl)piperidin-4-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 449.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 225.9±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.97
ACD/KOC (pH 5.5): 153.85
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.97
ACD/KOC (pH 7.4): 153.85
Polar Surface Area: 63 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 195.6±3.0 cm3

Click to predict properties on the Chemicalize site


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