ChemSpider 2D Image | WYE 672 | C23H17F3N2O2S

WYE 672

  • Molecular FormulaC23H17F3N2O2S
  • Average mass442.453 Da
  • Monoisotopic mass442.096283 Da
  • ChemSpider ID24669682

More details:






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

1221265-37-7 [RN]
3-Methyl-2-[3'-(methylsulfonyl)-4-biphenylyl]-5-(trifluormethyl)chinoxalin [German] [ACD/IUPAC Name]
3-Methyl-2-[3'-(methylsulfonyl)-4-biphenylyl]-5-(trifluoromethyl)quinoxaline [ACD/IUPAC Name]
3-Méthyl-2-[3'-(méthylsulfonyl)-4-biphénylyl]-5-(trifluorométhyl)quinoxaline [French] [ACD/IUPAC Name]
Quinoxaline, 3-methyl-2-[3'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-5-(trifluoromethyl)- [ACD/Index Name]
WYE 672
3-methyl-2-(3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)-5-(trifluoromethyl)quinoxaline
3-methyl-2-(3'-(methylsulfonyl)biphenyl-4-yl)-5-(trifluoromethyl)quinoxaline
3-METHYL-2-[3'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL]-5-(TRIFLUOROMETHYL)QUINOXALINE
3-Methyl-2-[3'-(methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)quinoxaline
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1991
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1991
      no pictogram Axon Medchem 1991
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1991
      Warning Axon Medchem 1991

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 322.7±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1718.24
ACD/KOC (pH 5.5): 7198.98
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1718.24
ACD/KOC (pH 7.4): 7198.98
Polar Surface Area: 68 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

Click to predict properties on the Chemicalize site






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