ChemSpider 2D Image | 2-(5-Bromo-3-pyridinyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1H-imidazol-3-ium | C16H12BrF3N3O2S

2-(5-Bromo-3-pyridinyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1H-imidazol-3-ium

  • Molecular FormulaC16H12BrF3N3O2S
  • Average mass447.249 Da
  • Monoisotopic mass445.978027 Da
  • ChemSpider ID21200725

  • Charge - Charge

More details:

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

1H-Imidazolium, 2-(5-bromo-3-pyridinyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)- [ACD/Index Name]
2-(5-Brom-3-pyridinyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluormethyl)-1H-imidazol-3-ium [German] [ACD/IUPAC Name]
2-(5-Bromo-3-pyridinyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1H-imidazol-3-ium [ACD/IUPAC Name]
2-(5-Bromo-3-pyridinyl)-1-[4-(méthylsulfonyl)phényl]-4-(trifluorométhyl)-1H-imidazol-3-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 594.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.61
ACD/KOC (pH 5.5): 997.41
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.61
ACD/KOC (pH 7.4): 997.43
Polar Surface Area: 74 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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