ChemSpider 2D Image | 2-{[(2-Fluorophenyl)sulfanyl]methyl}benzonitrile | C14H10FNS

2-{[(2-Fluorophenyl)sulfanyl]methyl}benzonitrile

  • Molecular FormulaC14H10FNS
  • Average mass243.299 Da
  • Monoisotopic mass243.051804 Da
  • ChemSpider ID24365930

More details:

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

2-{[(2-Fluorophenyl)sulfanyl]methyl}benzonitrile [ACD/IUPAC Name]
2-{[(2-Fluorophényl)sulfanyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
2-{[(2-Fluorphenyl)sulfanyl]methyl}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[[(2-fluorophenyl)thio]methyl]- [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: 362.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 172.8±25.1 °C
Index of Refraction: 1.622
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.82
ACD/KOC (pH 5.5): 2780.26
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.82
ACD/KOC (pH 7.4): 2780.26
Polar Surface Area: 49 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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