Found 2 results

Search term: MF = 'C_{18}H_{8}ClF_{6}N_{5}O_{3}'
ChemSpider 2D Image | 3-Chloro-5-{[6-oxo-1-{[6-oxo-2-(trifluoromethyl)-1,6-dihydro-5-pyrimidinyl]methyl}-4-(trifluoromethyl)-1,6-dihydro-5-pyrimidinyl]oxy}benzonitrile | C18H8ClF6N5O3

3-Chloro-5-{[6-oxo-1-{[6-oxo-2-(trifluoromethyl)-1,6-dihydro-5-pyrimidinyl]methyl}-4-(trifluoromethyl)-1,6-dihydro-5-pyrimidinyl]oxy}benzonitrile

  • Molecular FormulaC18H8ClF6N5O3
  • Average mass491.731 Da
  • Monoisotopic mass491.021973 Da
  • ChemSpider ID34533103

More details:

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

3-Chlor-5-{[6-oxo-1-{[6-oxo-2-(trifluormethyl)-1,6-dihydro-5-pyrimidinyl]methyl}-4-(trifluormethyl)-1,6-dihydro-5-pyrimidinyl]oxy}benzonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[6-oxo-1-{[6-oxo-2-(trifluoromethyl)-1,6-dihydro-5-pyrimidinyl]methyl}-4-(trifluoromethyl)-1,6-dihydro-5-pyrimidinyl]oxy}benzonitrile [ACD/IUPAC Name]
3-Chloro-5-{[6-oxo-1-{[6-oxo-2-(trifluorométhyl)-1,6-dihydro-5-pyrimidinyl]méthyl}-4-(trifluorométhyl)-1,6-dihydro-5-pyrimidinyl]oxy}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-5-[[1-[[1,6-dihydro-6-oxo-2-(trifluoromethyl)-5-pyrimidinyl]methyl]-1,6-dihydro-6-oxo-4-(trifluoromethyl)-5-pyrimidinyl]oxy]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 173.25
ACD/KOC (pH 5.5): 1208.27
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 8.15
ACD/KOC (pH 7.4): 56.81
Polar Surface Area: 107 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 296.7±7.0 cm3

Click to predict properties on the Chemicalize site


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