ChemSpider 2D Image | 2,2'-[Sulfonylbis(6-iodo-3-methyl-6-nitro-2,4-cyclohexadiene-4,1-diyl)]bis(1H-imidazole) | C20H18I2N6O6S

2,2'-[Sulfonylbis(6-iodo-3-methyl-6-nitro-2,4-cyclohexadiene-4,1-diyl)]bis(1H-imidazole)

  • Molecular FormulaC20H18I2N6O6S
  • Average mass724.268 Da
  • Monoisotopic mass723.909790 Da
  • ChemSpider ID32739214

More details:

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

1H-Imidazole, 2,2'-[sulfonylbis(6-iodo-3-methyl-6-nitro-2,4-cyclohexadiene-4,1-diyl)]bis- [ACD/Index Name]
2,2'-[Sulfonylbis(6-iod-3-methyl-6-nitro-2,4-cyclohexadien-4,1-diyl)]bis(1H-imidazol) [German] [ACD/IUPAC Name]
2,2'-[Sulfonylbis(6-iodo-3-methyl-6-nitro-2,4-cyclohexadiene-4,1-diyl)]bis(1H-imidazole) [ACD/IUPAC Name]
2,2'-[Sulfonylbis(6-iodo-3-méthyl-6-nitro-2,4-cyclohexadiène-4,1-diyl)]bis(1H-imidazole) [French] [ACD/IUPAC Name]
131134-90-2 [RN]
1-methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone

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

Density: 2.1±0.1 g/cm3
Boiling Point: 965.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 537.5±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 65.73
ACD/KOC (pH 7.4): 432.94
Polar Surface Area: 192 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 93.8±5.0 dyne/cm
Molar Volume: 342.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement