ChemSpider 2D Image | 2-{(E)-[(2,4-Dinitrophenyl)imino]methyl}-4-nitrophenol | C13H8N4O7

2-{(E)-[(2,4-Dinitrophenyl)imino]methyl}-4-nitrophenol

  • Molecular FormulaC13H8N4O7
  • Average mass332.225 Da
  • Monoisotopic mass332.039307 Da
  • ChemSpider ID21862632
  • Double-bond stereo - Double-bond stereo


More details:






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

2-{(E)-[(2,4-Dinitrophenyl)imino]methyl}-4-nitrophenol [ACD/IUPAC Name]
2-{(E)-[(2,4-Dinitrophenyl)imino]methyl}-4-nitrophenol [German] [ACD/IUPAC Name]
2-{(E)-[(2,4-Dinitrophényl)imino]méthyl}-4-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 2-[(E)-[(2,4-dinitrophenyl)imino]methyl]-4-nitro- [ACD/Index Name]
2-[(2,4-Dinitro-phenylimino)-methyl]-4-nitro-phenol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 617.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 327.0±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 87.91
ACD/KOC (pH 5.5): 594.50
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 11.78
Polar Surface Area: 170 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 202.9±7.0 cm3

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