ChemSpider 2D Image | 2,2'-[Sulfonylbis(4-chloro-2,3-dimethyl-6-nitro-1,5-cyclohexadiene-3,1-diyl)]bis(1H-imidazole) | C22H22Cl2N6O6S

2,2'-[Sulfonylbis(4-chloro-2,3-dimethyl-6-nitro-1,5-cyclohexadiene-3,1-diyl)]bis(1H-imidazole)

  • Molecular FormulaC22H22Cl2N6O6S
  • Average mass569.418 Da
  • Monoisotopic mass568.069885 Da
  • ChemSpider ID28686050

More details:

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

1H-Imidazole, 2,2'-[sulfonylbis(4-chloro-2,3-dimethyl-6-nitro-1,5-cyclohexadiene-3,1-diyl)]bis- [ACD/Index Name]
2,2'-[Sulfonylbis(4-chlor-2,3-dimethyl-6-nitro-1,5-cyclohexadien-3,1-diyl)]bis(1H-imidazol) [German] [ACD/IUPAC Name]
2,2'-[Sulfonylbis(4-chloro-2,3-dimethyl-6-nitro-1,5-cyclohexadiene-3,1-diyl)]bis(1H-imidazole) [ACD/IUPAC Name]
2,2'-[Sulfonylbis(4-chloro-2,3-diméthyl-6-nitro-1,5-cyclohexadiène-3,1-diyl)]bis(1H-imidazole) [French] [ACD/IUPAC Name]
131134-91-3 [RN]
1-methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 853.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 470.3±37.1 °C
Index of Refraction: 1.671
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 12.71
ACD/KOC (pH 7.4): 93.82
Polar Surface Area: 192 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 357.5±5.0 cm3

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