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

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

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID81775622

More details:

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

3,4-Difluor-2-[(4-methyl-1,3-thiazol-2-yl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
3,4-Difluoro-2-[(4-methyl-1,3-thiazol-2-yl)ethynyl]benzonitrile [ACD/IUPAC Name]
3,4-Difluoro-2-[(4-méthyl-1,3-thiazol-2-yl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,4-difluoro-2-[2-(4-methyl-2-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: 421.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.9±31.5 °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: 3.70
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.74
ACD/KOC (pH 5.5): 998.27
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.74
ACD/KOC (pH 7.4): 998.31
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


Advertisement