ChemSpider 2D Image | (2-Chloro-4-{[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]amino}-5-methylphenyl)(4-chlorophenyl)acetonitrile | C26H19Cl2N5O4

(2-Chloro-4-{[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]amino}-5-methylphenyl)(4-chlorophenyl)acetonitrile

  • Molecular FormulaC26H19Cl2N5O4
  • Average mass536.366 Da
  • Monoisotopic mass535.081421 Da
  • ChemSpider ID12037675

More details:

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

(2-Chloro-4-{[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]amino}-5-methylphenyl)(4-chlorophenyl)acetonitrile
benzeneacetonitrile, 2-chloro-α-(4-chlorophenyl)-4-[[6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]amino]-5-methyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.7±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 95938.66
ACD/KOC (pH 5.5): 128141.38
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 95939.20
ACD/KOC (pH 7.4): 128142.08
Polar Surface Area: 126 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 378.6±3.0 cm3

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