ChemSpider 2D Image | 2,2'-(3,4-Dibutoxy-2,5-thienediyl)bis[5-(4-chlorophenyl)-1,3,4-oxadiazole] | C28H26Cl2N4O4S

2,2'-(3,4-Dibutoxy-2,5-thienediyl)bis[5-(4-chlorophenyl)-1,3,4-oxadiazole]

  • Molecular FormulaC28H26Cl2N4O4S
  • Average mass585.501 Da
  • Monoisotopic mass584.105164 Da
  • ChemSpider ID24741087

More details:

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

1,3,4-Oxadiazole, 2,2'-(3,4-dibutoxy-2,5-thienediyl)bis[5-(4-chlorophenyl)- [ACD/Index Name]
2,2'-(3,4-Dibutoxy-2,5-thiendiyl)bis[5-(4-chlorphenyl)-1,3,4-oxadiazol] [German] [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxy-2,5-thienediyl)bis[5-(4-chlorophenyl)-1,3,4-oxadiazole] [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxy-2,5-thiènediyl)bis[5-(4-chlorophényl)-1,3,4-oxadiazole] [French] [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxythiene-2,5-diyl)bis[5-(4-chlorophenyl)-1,3,4-oxadiazole]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 396.8±35.7 °C
Index of Refraction: 1.586
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.47
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 284335.88
ACD/KOC (pH 5.5): 278886.16
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 284335.88
ACD/KOC (pH 7.4): 278886.16
Polar Surface Area: 125 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 449.5±3.0 cm3

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