ChemSpider 2D Image | (2E)-2,3-Bis[4-(5-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-thienyl)phenyl]-2-butenedinitrile | C42H20F6N6O2S2

(2E)-2,3-Bis[4-(5-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-thienyl)phenyl]-2-butenedinitrile

  • Molecular FormulaC42H20F6N6O2S2
  • Average mass818.768 Da
  • Monoisotopic mass818.099304 Da
  • ChemSpider ID30660152

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2,3-Bis[4-(5-{5-[4-(trifluormethyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-thienyl)phenyl]-2-butendinitril [German] [ACD/IUPAC Name]
(2E)-2,3-Bis[4-(5-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-thienyl)phenyl]-2-butenedinitrile [ACD/IUPAC Name]
(2E)-2,3-Bis[4-(5-{5-[4-(trifluorométhyl)phényl]-1,3,4-oxadiazol-2-yl}-2-thiényl)phényl]-2-butènedinitrile [French] [ACD/IUPAC Name]
2-Butenedinitrile, 2,3-bis[4-[5-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-thienyl]phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 880.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 486.1±37.1 °C
Index of Refraction: 1.617
Molar Refractivity: 201.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 12.16
ACD/LogD (pH 5.5): 10.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 182 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 575.3±3.0 cm3

Click to predict properties on the Chemicalize site


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