ChemSpider 2D Image | 3-({[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(4-fluorophenyl)pyridazine | C19H12BrFN4OS

3-({[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(4-fluorophenyl)pyridazine

  • Molecular FormulaC19H12BrFN4OS
  • Average mass443.292 Da
  • Monoisotopic mass441.989929 Da
  • ChemSpider ID28971857

More details:

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

3-({[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(4-fluorophenyl)pyridazine [ACD/IUPAC Name]
3-({[3-(4-Bromophényl)-1,2,4-oxadiazol-5-yl]méthyl}sulfanyl)-6-(4-fluorophényl)pyridazine [French] [ACD/IUPAC Name]
3-({[3-(4-Bromphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(4-fluorphenyl)pyridazin [German] [ACD/IUPAC Name]
Pyridazine, 3-[[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-6-(4-fluorophenyl)- [ACD/Index Name]
3-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-6-(4-fluorophenyl)pyridazine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 623.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 330.6±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2187.17
ACD/KOC (pH 5.5): 8556.19
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2187.24
ACD/KOC (pH 7.4): 8556.47
Polar Surface Area: 90 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 80.8±5.0 dyne/cm
Molar Volume: 270.1±5.0 cm3

Click to predict properties on the Chemicalize site


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