ChemSpider 2D Image | Ethyl 6-(chloromethyl)-4-(5-methyl-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C13H15ClN2O4

Ethyl 6-(chloromethyl)-4-(5-methyl-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC13H15ClN2O4
  • Average mass298.722 Da
  • Monoisotopic mass298.072021 Da
  • ChemSpider ID21763766

More details:

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

1000932-06-8 [RN]
5-Pyrimidinecarboxylic acid, 6-(chloromethyl)-1,2,3,4-tetrahydro-4-(5-methyl-2-furanyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-(Chlorométhyl)-4-(5-méthyl-2-furyl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(chloromethyl)-4-(5-methyl-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
ethyl 6-(chloromethyl)-4-(5-methylfuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Ethyl-6-(chlormethyl)-4-(5-methyl-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
ethyl 6-(chloromethyl)-4-(5-methyl-2-furyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
MFCD09863344 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 198.9±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.58
ACD/KOC (pH 5.5): 313.66
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.54
ACD/KOC (pH 7.4): 313.10
Polar Surface Area: 81 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 234.1±3.0 cm3

Click to predict properties on the Chemicalize site


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