ChemSpider 2D Image | 5-[2-(3,4-Difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C13H10F2N2O4

5-[2-(3,4-Difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC13H10F2N2O4
  • Average mass296.226 Da
  • Monoisotopic mass296.060852 Da
  • ChemSpider ID35034264

More details:

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

4-Pyrimidinecarboxylic acid, 5-[2-(3,4-difluorophenyl)ethyl]-1,2,3,6-tetrahydro-2,6-dioxo- [ACD/Index Name]
5-[2-(3,4-Difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-[2-(3,4-Difluorophenyl)ethyl]-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
5-[2-(3,4-Difluorphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
Acide 5-[2-(3,4-difluorophényl)éthyl]-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
QRO

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 199.7±3.0 cm3

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