ChemSpider 2D Image | 3-Fluoro-4-[(5-oxo-4-phenyl-4,5-dihydro-1H-tetrazol-1-yl)methyl]benzonitrile | C15H10FN5O

3-Fluoro-4-[(5-oxo-4-phenyl-4,5-dihydro-1H-tetrazol-1-yl)methyl]benzonitrile

  • Molecular FormulaC15H10FN5O
  • Average mass295.271 Da
  • Monoisotopic mass295.086945 Da
  • ChemSpider ID22534947

More details:

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

3-Fluor-4-[(5-oxo-4-phenyl-4,5-dihydro-1H-tetrazol-1-yl)methyl]benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-4-[(5-oxo-4-phenyl-4,5-dihydro-1H-tetrazol-1-yl)methyl]benzonitrile [ACD/IUPAC Name]
3-Fluoro-4-[(5-oxo-4-phényl-4,5-dihydro-1H-tétrazol-1-yl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(4,5-dihydro-5-oxo-4-phenyl-1H-tetrazol-1-yl)methyl]-3-fluoro- [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: 433.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.7±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.18
ACD/KOC (pH 5.5): 288.32
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.18
ACD/KOC (pH 7.4): 288.32
Polar Surface Area: 72 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 216.5±7.0 cm3

Click to predict properties on the Chemicalize site


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