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

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

  • Molecular FormulaC22H22Cl2N6O6S
  • Average mass569.418 Da
  • Monoisotopic mass568.069885 Da
  • ChemSpider ID19982921

More details:

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

1H-Imidazole, 5,5'-[sulfonylbis(3-chloro-4,5-dimethyl-1,5-cyclohexadiene-4,1-diyl)]bis[2-nitro- [ACD/Index Name]
4,4'-[Sulfonylbis(3-chlor-4,5-dimethyl-1,5-cyclohexadien-4,1-diyl)]bis(2-nitro-1H-imidazol) [German] [ACD/IUPAC Name]
4,4'-[Sulfonylbis(3-chloro-4,5-dimethyl-1,5-cyclohexadiene-4,1-diyl)]bis(2-nitro-1H-imidazole) [ACD/IUPAC Name]
4,4'-[Sulfonylbis(3-chloro-4,5-diméthyl-1,5-cyclohexadiène-4,1-diyl)]bis(2-nitro-1H-imidazole) [French] [ACD/IUPAC Name]
5,5'-[Sulfonylbis(3-chloro-4,5-dimethylcyclohexa-1,5-diene-4,1-diyl)]bis(2-nitro-1H-imidazole)
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: 912.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 505.7±37.1 °C
Index of Refraction: 1.675
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.24
ACD/KOC (pH 5.5): 1191.14
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 127.01
ACD/KOC (pH 7.4): 1086.55
Polar Surface Area: 192 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

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