ChemSpider 2D Image | 2-(4-Bromo-3-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine | C12H9BrClFN2O

2-(4-Bromo-3-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine

  • Molecular FormulaC12H9BrClFN2O
  • Average mass331.568 Da
  • Monoisotopic mass329.957062 Da
  • ChemSpider ID46100968

More details:

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

2-(4-Brom-3-fluorphenoxy)-5-(chlormethyl)-4-methylpyrimidin [German] [ACD/IUPAC Name]
2-(4-Bromo-3-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine [ACD/IUPAC Name]
2-(4-Bromo-3-fluorophénoxy)-5-(chlorométhyl)-4-méthylpyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)-4-methyl- [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: 437.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 218.2±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.65
ACD/KOC (pH 5.5): 1947.78
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.65
ACD/KOC (pH 7.4): 1947.79
Polar Surface Area: 35 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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