ChemSpider 2D Image | 5,5'-[Sulfonylbis(1-iodo-4-methylcyclohexa-2,5-diene-4,1-diyl)]bis(2-nitro-1H-imidazole) | C20H18I2N6O6S

5,5'-[Sulfonylbis(1-iodo-4-methylcyclohexa-2,5-diene-4,1-diyl)]bis(2-nitro-1H-imidazole)

  • Molecular FormulaC20H18I2N6O6S
  • Average mass724.268 Da
  • Monoisotopic mass723.909790 Da
  • ChemSpider ID19981007

More details:

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

1H-Imidazole, 5,5'-[sulfonylbis(1-iodo-4-methyl-2,5-cyclohexadiene-4,1-diyl)]bis[2-nitro- [ACD/Index Name]
4-(1-Iod-4-{[4-iod-1-methyl-4-(2-nitro-1H-imidazol-5-yl)-2,5-cyclohexadien-1-yl]sulfonyl}-4-methyl-2,5-cyclohexadien-1-yl)-2-nitro-1H-imidazol [German] [ACD/IUPAC Name]
4-(1-Iodo-4-{[4-iodo-1-methyl-4-(2-nitro-1H-imidazol-5-yl)-2,5-cyclohexadien-1-yl]sulfonyl}-4-methyl-2,5-cyclohexadien-1-yl)-2-nitro-1H-imidazole [ACD/IUPAC Name]
4-(1-Iodo-4-{[4-iodo-1-méthyl-4-(2-nitro-1H-imidazol-5-yl)-2,5-cyclohexadién-1-yl]sulfonyl}-4-méthyl-2,5-cyclohexadién-1-yl)-2-nitro-1H-imidazole [French] [ACD/IUPAC Name]
5,5'-[Sulfonylbis(1-iodo-4-methylcyclohexa-2,5-diene-4,1-diyl)]bis(2-nitro-1H-imidazole)
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: 866.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 477.7±37.1 °C
Index of Refraction: 1.770
Molar Refractivity: 142.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.76
ACD/KOC (pH 5.5): 1062.45
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 95.76
ACD/KOC (pH 7.4): 856.69
Polar Surface Area: 192 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 341.9±5.0 cm3

Click to predict properties on the Chemicalize site


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