ChemSpider 2D Image | 4-Chloro-6-(3-oxetanylsulfanyl)-2-(trifluoromethyl)pyrimidine | C8H6ClF3N2OS

4-Chloro-6-(3-oxetanylsulfanyl)-2-(trifluoromethyl)pyrimidine

  • Molecular FormulaC8H6ClF3N2OS
  • Average mass270.659 Da
  • Monoisotopic mass269.984131 Da
  • ChemSpider ID53441101

More details:

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

4-Chlor-6-(3-oxetanylsulfanyl)-2-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-6-(3-oxetanylsulfanyl)-2-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
4-Chloro-6-(3-oxétanylsulfanyl)-2-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-chloro-6-(3-oxetanylthio)-2-(trifluoromethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 285.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 126.2±27.3 °C
Index of Refraction: 1.544
Molar Refractivity: 53.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.31
ACD/KOC (pH 5.5): 256.79
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.31
ACD/KOC (pH 7.4): 256.79
Polar Surface Area: 60 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 170.3±5.0 cm3

Click to predict properties on the Chemicalize site


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