ChemSpider 2D Image | ({4-[(E)-{4-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}diazenyl]phenyl}imino)di-2,1-ethanediyl diacetate | C28H26N6O7

({4-[(E)-{4-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}diazenyl]phenyl}imino)di-2,1-ethanediyl diacetate

  • Molecular FormulaC28H26N6O7
  • Average mass558.542 Da
  • Monoisotopic mass558.186279 Da
  • ChemSpider ID9906105

  • Double-bond stereo - Double-bond stereo

More details:

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

({4-[(E)-{4-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}diazenyl]phenyl}imino)di-2,1-ethandiyl-diacetat [German] [ACD/IUPAC Name]
({4-[(E)-{4-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}diazenyl]phenyl}imino)di-2,1-ethanediyl diacetate [ACD/IUPAC Name]
Diacétate de ({4-[(E)-{4-[5-(4-nitrophényl)-1,3,4-oxadiazol-2-yl]phényl}diazényl]phényl}imino)di-2,1-éthanediyle [French] [ACD/IUPAC Name]
Ethanol, 2,2'-[[4-[(E)-2-[4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]phenyl]imino]bis-, diacetate (ester) [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.2±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8203.52
ACD/KOC (pH 5.5): 22040.44
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8204.29
ACD/KOC (pH 7.4): 22042.50
Polar Surface Area: 165 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 415.7±7.0 cm3

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