ChemSpider 2D Image | 4-({4-[(1-Chloro-2-naphthyl)oxy]-6-(ethylamino)-1,3,5-triazin-2-yl}amino)-3-fluorobenzonitrile | C22H16ClFN6O

4-({4-[(1-Chloro-2-naphthyl)oxy]-6-(ethylamino)-1,3,5-triazin-2-yl}amino)-3-fluorobenzonitrile

  • Molecular FormulaC22H16ClFN6O
  • Average mass434.853 Da
  • Monoisotopic mass434.105804 Da
  • ChemSpider ID34555396

More details:

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

4-({4-[(1-Chlor-2-naphthyl)oxy]-6-(ethylamino)-1,3,5-triazin-2-yl}amino)-3-fluorbenzonitril [German] [ACD/IUPAC Name]
4-({4-[(1-Chloro-2-naphthyl)oxy]-6-(ethylamino)-1,3,5-triazin-2-yl}amino)-3-fluorobenzonitrile [ACD/IUPAC Name]
4-({4-[(1-Chloro-2-naphtyl)oxy]-6-(éthylamino)-1,3,5-triazin-2-yl}amino)-3-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[(1-chloro-2-naphthalenyl)oxy]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-fluoro- [ACD/Index 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: 647.6±65.0 °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: 345.5±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4804.66
ACD/KOC (pH 5.5): 15015.93
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4819.10
ACD/KOC (pH 7.4): 15061.04
Polar Surface Area: 96 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

Click to predict properties on the Chemicalize site


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