ChemSpider 2D Image | 2,2'-(1,8-Octanediyl)bis{5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole} | C26H28Cl2N4O4

2,2'-(1,8-Octanediyl)bis{5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole}

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID349261

More details:

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

1,3,4-Oxadiazole, 2,2'-(1,8-octanediyl)bis[5-[(4-chlorophenoxy)methyl]- [ACD/Index Name]
2,2'-(1,8-Octandiyl)bis{5-[(4-chlorphenoxy)methyl]-1,3,4-oxadiazol} [German] [ACD/IUPAC Name]
2,2'-(1,8-Octanediyl)bis{5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole} [ACD/IUPAC Name]
2,2'-(1,8-Octanediyl)bis{5-[(4-chlorophénoxy)méthyl]-1,3,4-oxadiazole} [French] [ACD/IUPAC Name]
2-((4-Chlorophenoxy)methyl)-5-(8-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazole

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

AIDS152575 [DBID]
AIDS-152575 [DBID]
NCI60_034624 [DBID]
NSC697155 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 373.6±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36184.95
ACD/KOC (pH 5.5): 63764.33
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36184.95
ACD/KOC (pH 7.4): 63764.33
Polar Surface Area: 96 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 413.8±3.0 cm3

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