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Search term: OMXOEMCOOCDBTO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2,6-Dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C14H11F3N2O5

2,6-Dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC14H11F3N2O5
  • Average mass344.243 Da
  • Monoisotopic mass344.062012 Da
  • ChemSpider ID35034547

More details:

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

2,6-Dioxo-5-{2-[4-(trifluormethoxy)phenyl]ethyl}-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
2,6-Dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
2,6-Dioxo-5-{2-[4-(Trifluoromethoxy)phenyl]ethyl}-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-5-[2-[4-(trifluoromethoxy)phenyl]ethyl]- [ACD/Index Name]
Acide 2,6-dioxo-5-{2-[4-(trifluorométhoxy)phényl]éthyl}-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.534
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 231.7±3.0 cm3

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