ChemSpider 2D Image | 2-({[2,6-Dinitro-4-(trifluoromethyl)phenyl]amino}methyl)-6-methoxyphenol | C15H12F3N3O6

2-({[2,6-Dinitro-4-(trifluoromethyl)phenyl]amino}methyl)-6-methoxyphenol

  • Molecular FormulaC15H12F3N3O6
  • Average mass387.267 Da
  • Monoisotopic mass387.067810 Da
  • ChemSpider ID70411337

More details:

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

2-({[2,6-Dinitro-4-(trifluormethyl)phenyl]amino}methyl)-6-methoxyphenol [German] [ACD/IUPAC Name]
2-({[2,6-Dinitro-4-(trifluoromethyl)phenyl]amino}methyl)-6-methoxyphenol [ACD/IUPAC Name]
2-({[2,6-Dinitro-4-(trifluorométhyl)phényl]amino}méthyl)-6-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]methyl]-6-methoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 476.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 241.7±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 739.47
ACD/KOC (pH 5.5): 3936.97
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 733.22
ACD/KOC (pH 7.4): 3903.70
Polar Surface Area: 133 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 249.2±3.0 cm3

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