ChemSpider 2D Image | 1-[(4-Bromophenyl)sulfonyl]-4-isocyanatopiperidine | C12H13BrN2O3S

1-[(4-Bromophenyl)sulfonyl]-4-isocyanatopiperidine

  • Molecular FormulaC12H13BrN2O3S
  • Average mass345.212 Da
  • Monoisotopic mass343.983032 Da
  • ChemSpider ID24199529

More details:

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

1-[(4-Bromophenyl)sulfonyl]-4-isocyanatopiperidine [ACD/IUPAC Name]
1-[(4-Bromophényl)sulfonyl]-4-isocyanatopipéridine [French] [ACD/IUPAC Name]
1-[(4-Bromphenyl)sulfonyl]-4-isocyanatopiperidin [German] [ACD/IUPAC Name]
Piperidine, 1-[(4-bromophenyl)sulfonyl]-4-isocyanato- [ACD/Index Name]
1-(4-bromobenzenesulfonyl)-4-isocyanatopiperidine
1-[(4-bromobenzene)sulfonyl]-4-isocyanatopiperidine
1016842-31-1 [RN]
MFCD09949193 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 450.1±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: 226.0±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 244.85
ACD/KOC (pH 5.5): 1784.78
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 244.85
ACD/KOC (pH 7.4): 1784.78
Polar Surface Area: 75 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 214.5±7.0 cm3

Click to predict properties on the Chemicalize site


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