ChemSpider 2D Image | 2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-fluorobenzonitrile | C12H9ClFN5O

2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-fluorobenzonitrile

  • Molecular FormulaC12H9ClFN5O
  • Average mass293.684 Da
  • Monoisotopic mass293.047974 Da
  • ChemSpider ID40790466

More details:

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

2-[(4-Chlor-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-fluorbenzonitril [German] [ACD/IUPAC Name]
2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-fluorobenzonitrile [ACD/IUPAC Name]
2-[(4-Chloro-6-éthoxy-1,3,5-triazin-2-yl)amino]-5-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-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: 485.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.4±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 69.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.44
ACD/KOC (pH 5.5): 761.09
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.47
ACD/KOC (pH 7.4): 761.33
Polar Surface Area: 84 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 200.6±5.0 cm3

Click to predict properties on the Chemicalize site


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