ChemSpider 2D Image | 2-{[2-(Difluoromethyl)-1,3-thiazol-5-yl]ethynyl}benzonitrile | C13H6F2N2S

2-{[2-(Difluoromethyl)-1,3-thiazol-5-yl]ethynyl}benzonitrile

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID84544844

More details:

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

2-{[2-(Difluormethyl)-1,3-thiazol-5-yl]ethinyl}benzonitril [German] [ACD/IUPAC Name]
2-{[2-(Difluoromethyl)-1,3-thiazol-5-yl]ethynyl}benzonitrile [ACD/IUPAC Name]
2-{[2-(Difluorométhyl)-1,3-thiazol-5-yl]éthynyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[2-[2-(difluoromethyl)-5-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: 399.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.3±27.9 °C
Index of Refraction: 1.605
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.11
ACD/KOC (pH 5.5): 1166.15
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.11
ACD/KOC (pH 7.4): 1166.15
Polar Surface Area: 65 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 186.0±5.0 cm3

Click to predict properties on the Chemicalize site


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