ChemSpider 2D Image | 2-[(3-Ethynylphenyl)amino]-6-fluorobenzonitrile | C15H9FN2

2-[(3-Ethynylphenyl)amino]-6-fluorobenzonitrile

  • Molecular FormulaC15H9FN2
  • Average mass236.244 Da
  • Monoisotopic mass236.074982 Da
  • ChemSpider ID52177849

More details:

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

2-[(3-Ethinylphenyl)amino]-6-fluorbenzonitril [German] [ACD/IUPAC Name]
2-[(3-Ethynylphenyl)amino]-6-fluorobenzonitrile [ACD/IUPAC Name]
2-[(3-Éthynylphényl)amino]-6-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(3-ethynylphenyl)amino]-6-fluoro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 176.9±27.9 °C
Index of Refraction: 1.622
Molar Refractivity: 66.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.51
ACD/KOC (pH 5.5): 1508.10
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.51
ACD/KOC (pH 7.4): 1508.10
Polar Surface Area: 36 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 189.8±5.0 cm3

Click to predict properties on the Chemicalize site


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