ChemSpider 2D Image | 4'-[(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-biphenylcarbonitrile | C22H13N3O4

4'-[(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-biphenylcarbonitrile

  • Molecular FormulaC22H13N3O4
  • Average mass383.356 Da
  • Monoisotopic mass383.090607 Da
  • ChemSpider ID31396437

More details:

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

[1,1'-Biphenyl]-2-carbonitrile, 4'-[(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)methyl]- [ACD/Index Name]
4'-[(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-[(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-biphenylcarbonitrile [ACD/IUPAC Name]
4'-[(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]-2-biphénylcarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.47
ACD/KOC (pH 5.5): 2844.06
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.47
ACD/KOC (pH 7.4): 2844.06
Polar Surface Area: 107 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 260.2±5.0 cm3

Click to predict properties on the Chemicalize site


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