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Search term: ZDUOYBOFMKORCT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Methyl-4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline | C24H18F3NO3S

3-Methyl-4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline

  • Molecular FormulaC24H18F3NO3S
  • Average mass457.465 Da
  • Monoisotopic mass457.095947 Da
  • ChemSpider ID24646931

More details:

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

3-Methyl-4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluormethyl)chinolin [German] [ACD/IUPAC Name]
3-Méthyl-4-{3-[3-(méthylsulfonyl)phénoxy]phényl}-8-(trifluorométhyl)quinoléine [French] [ACD/IUPAC Name]
3-Methyl-4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline [ACD/IUPAC Name]
Quinoline, 3-methyl-4-[3-[3-(methylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 312.4±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7474.32
ACD/KOC (pH 5.5): 20610.88
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7486.10
ACD/KOC (pH 7.4): 20643.38
Polar Surface Area: 65 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 344.2±3.0 cm3

Click to predict properties on the Chemicalize site


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