ChemSpider 2D Image | ONO-8713 | C25H24F3NO6S

ONO-8713

  • Molecular FormulaC25H24F3NO6S
  • Average mass523.521 Da
  • Monoisotopic mass523.127625 Da
  • ChemSpider ID8112223

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({2-[(2-Furylsulfonyl)(isobutyl)amino]-5-(trifluormethyl)phenoxy}methyl)phenyl]acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-[4-({2-[(2-Furylsulfonyl)(isobutyl)amino]-5-(trifluoromethyl)phenoxy}methyl)phenyl]acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[2-[(2-furanylsulfonyl)(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-({2-[(2-furylsulfonyl)(isobutyl)amino]-5-(trifluorométhyl)phénoxy}méthyl)phényl]acrylique [French] [ACD/IUPAC Name]
ONO-8713
(E)-3-[4-[[2-(furan-2-ylsulfonyl-(2-methylpropyl)amino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid
ONO 8713
ONO 8713|ONO8713
ONO8713

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

Density: 1.4±0.1 g/cm3
Boiling Point: 641.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.8±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 483.06
ACD/KOC (pH 5.5): 1415.41
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 22.45
Polar Surface Area: 105 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 383.6±3.0 cm3

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