ChemSpider 2D Image | 3-(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-fluorobenzoic acid | C11H7FN2O4

3-(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-fluorobenzoic acid

  • Molecular FormulaC11H7FN2O4
  • Average mass250.183 Da
  • Monoisotopic mass250.038986 Da
  • ChemSpider ID30999497

More details:

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

1261953-39-2 [RN]
3-(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-fluorbenzoesäure [German] [ACD/IUPAC Name]
3-(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-fluorobenzoic acid [ACD/IUPAC Name]
Acide 3-(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-4-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)- [ACD/Index Name]
5-(5-Carboxy-2-fluorophenyl)-(2,4)-dihydroxypyrimidine
95%

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

Density: 1.6±0.1 g/cm3
Boiling Point: 599.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.1±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 154.8±3.0 cm3

Click to predict properties on the Chemicalize site


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