ChemSpider 2D Image | 1-(2-Amino-4-fluorobenzyl)-1H-imidazole-4,5-dicarbonitrile | C12H8FN5

1-(2-Amino-4-fluorobenzyl)-1H-imidazole-4,5-dicarbonitrile

  • Molecular FormulaC12H8FN5
  • Average mass241.224 Da
  • Monoisotopic mass241.076370 Da
  • ChemSpider ID45993216

More details:

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

1-(2-Amino-4-fluorbenzyl)-1H-imidazol-4,5-dicarbonitril [German] [ACD/IUPAC Name]
1-(2-Amino-4-fluorobenzyl)-1H-imidazole-4,5-dicarbonitrile [ACD/IUPAC Name]
1-(2-Amino-4-fluorobenzyl)-1H-imidazole-4,5-dicarbonitrile [French] [ACD/IUPAC Name]
1H-Imidazole-4,5-dicarbonitrile, 1-[(2-amino-4-fluorophenyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.9±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 57.85
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 58.00
Polar Surface Area: 91 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 177.6±7.0 cm3

Click to predict properties on the Chemicalize site


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