ChemSpider 2D Image | 3,6-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile | C13H6F2N2S

3,6-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID81464669

More details:

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

3,6-Difluor-2-[(2-methyl-1,3-thiazol-4-yl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
3,6-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile [ACD/IUPAC Name]
3,6-Difluoro-2-[(2-méthyl-1,3-thiazol-4-yl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,6-difluoro-2-[2-(2-methyl-4-thiazolyl)ethynyl]- [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: 412.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.2±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.93
ACD/KOC (pH 5.5): 757.37
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.93
ACD/KOC (pH 7.4): 757.41
Polar Surface Area: 65 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 184.5±5.0 cm3

Click to predict properties on the Chemicalize site


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