ChemSpider 2D Image | 3-(3-Chlorophenyl)-5-[({5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-1,2,4-oxadiazole | C18H11ClF2N4O3S

3-(3-Chlorophenyl)-5-[({5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-1,2,4-oxadiazole

  • Molecular FormulaC18H11ClF2N4O3S
  • Average mass436.820 Da
  • Monoisotopic mass436.020844 Da
  • ChemSpider ID33023183

More details:

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

1,2,4-Oxadiazole, 3-(3-chlorophenyl)-5-[[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]- [ACD/Index Name]
3-(3-Chlorophenyl)-5-[({5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(3-Chlorophényl)-5-[({5-[4-(difluorométhoxy)phényl]-1,3,4-oxadiazol-2-yl}sulfanyl)méthyl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
3-(3-Chlorphenyl)-5-[({5-[4-(difluormethoxy)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-1,2,4-oxadiazol [German] [ACD/IUPAC 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: 589.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 310.3±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3200.05
ACD/KOC (pH 5.5): 11235.34
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3200.05
ACD/KOC (pH 7.4): 11235.34
Polar Surface Area: 112 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 278.4±5.0 cm3

Click to predict properties on the Chemicalize site


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