ChemSpider 2D Image | 3-(4-Fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid | C14H13FN2O4

3-(4-Fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid

  • Molecular FormulaC14H13FN2O4
  • Average mass292.262 Da
  • Monoisotopic mass292.085938 Da
  • ChemSpider ID72388025

More details:

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

1437323-26-6 [RN]
3-(4-Fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
3-(4-FLUOROPHENYL)-2,4-DIOXO-1-(PROPAN-2-YL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLIC ACID
3-(4-Fluorphenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 3-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo- [ACD/Index Name]
Acide 3-(4-fluorophényl)-1-isopropyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
3-(4-fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
3-(4-fluorophenyl)-1-isopropyl-2,4-dioxopyrimidine-5-carboxylic acid
MFCD30802616

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 429.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 213.4±31.5 °C
    Index of Refraction: 1.595
    Molar Refractivity: 69.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.41
    ACD/LogD (pH 7.4): -1.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 205.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement