ChemSpider 2D Image | 1,1'-{1,6-Hexanediylbis[(methylimino)-3,1-propanediyl]}bis[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile] | C44H48F2N4O2

1,1'-{1,6-Hexanediylbis[(methylimino)-3,1-propanediyl]}bis[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile]

  • Molecular FormulaC44H48F2N4O2
  • Average mass702.874 Da
  • Monoisotopic mass702.374512 Da
  • ChemSpider ID8072124

More details:

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

1,1'-{1,6-Hexandiylbis[(methylimino)-3,1-propandiyl]}bis[1-(4-fluorphenyl)-1,3-dihydro-2-benzofuran-5-carbonitril] [German] [ACD/IUPAC Name]
1,1'-{1,6-Hexanediylbis[(methylimino)-3,1-propanediyl]}bis[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile] [ACD/IUPAC Name]
1,1'-{1,6-Hexanediylbis[(méthylimino)-3,1-propanediyl]}bis[1-(4-fluorophényl)-1,3-dihydro-2-benzofurane-5-carbonitrile] [French] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1,1'-[1,6-hexanediylbis[(methylimino)-3,1-propanediyl]]bis[1-(4-fluorophenyl)-1,3-dihydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 10.69
ACD/KOC (pH 5.5): 12.98
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 18.16
ACD/KOC (pH 7.4): 22.04
Polar Surface Area: 73 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 572.9±5.0 cm3

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