ChemSpider 2D Image | AI-10-49 | C30H22F6N6O5

AI-10-49

  • Molecular FormulaC30H22F6N6O5
  • Average mass660.523 Da
  • Monoisotopic mass660.155579 Da
  • ChemSpider ID35099469

More details:






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

1256094-72-0 [RN]
1H-Benzimidazole, 2,2'-[oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[5-(trifluoromethoxy)- [ACD/Index Name]
2,2'-[Oxybis(2,1-ethandiyloxy-5,2-pyridindiyl)]bis[5-(trifluormethoxy)-1H-benzimidazol] [German] [ACD/IUPAC Name]
2,2'-[Oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[5-(trifluoromethoxy)-1H-benzimidazole] [ACD/IUPAC Name]
2,2'-[Oxybis(2,1-éthanediyloxy-5,2-pyridinediyl)]bis[5-(trifluorométhoxy)-1H-benzimidazole] [French] [ACD/IUPAC Name]
AI-10-49 [Wiki]
1H-Benzimidazole, 2,2'-[oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[6-(trifluoromethoxy)-
2,?2'-?[oxybis(2,?1-?ethanediyloxy-?5,?2-?pyridinediyl)?]?bis[6-?(trifluoromethoxy)?-1H-benzimidazole
2,2'-(((oxybis(ethane-2,1-diyl))bis(oxy))bis(pyridine-5,2-diyl))bis(6-(trifluoromethoxy)-1H-benzo[d]imidazole)
6-(trifluoromethoxy)-2-[5-[2-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethoxy]ethoxy]pyridin-2-yl]-1H-benzimidazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 790.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.8±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15094.00
ACD/KOC (pH 5.5): 34014.89
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15184.36
ACD/KOC (pH 7.4): 34218.52
Polar Surface Area: 129 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 446.8±3.0 cm3

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