ChemSpider 2D Image | 2,2'-{1,4-Butanediylbis[oxy-2,1-phenylenenitrilo(E)methylylidene]}bis(6-nitrophenolate) | C30H24N4O8

2,2'-{1,4-Butanediylbis[oxy-2,1-phenylenenitrilo(E)methylylidene]}bis(6-nitrophenolate)

  • Molecular FormulaC30H24N4O8
  • Average mass568.535 Da
  • Monoisotopic mass568.160522 Da
  • ChemSpider ID5426276

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2,2'-{1,4-Butandiylbis[oxy-2,1-phenylennitrilo(E)methylyliden]}bis(6-nitrophenolat) [German] [ACD/IUPAC Name]
2,2'-{1,4-Butanediylbis[oxy-2,1-phenylenenitrilo(E)methylylidene]}bis(6-nitrophenolate) [ACD/IUPAC Name]
2,2'-{1,4-Butanediylbis[oxy-2,1-phénylènenitrilo(E)méthylylidène]}bis(6-nitrophénolate) [French] [ACD/IUPAC Name]
Phenol, 2,2'-[1,4-butanediylbis[oxy-2,1-phenylenenitrilo(E)methylidyne]]bis[6-nitro-, ion(2-) [ACD/Index Name]

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

ZINC04013845 [DBID]

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

Density:
Boiling Point: 779.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 425.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 18722.60
ACD/KOC (pH 5.5): 21389.17
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 19.83
ACD/KOC (pH 7.4): 22.65
Polar Surface Area: 181 Å2
Polarizability:
Surface Tension:
Molar Volume:

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