ChemSpider 2D Image | Ethyl 6-{[(2-nitrobenzoyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C15H15N3O7

Ethyl 6-{[(2-nitrobenzoyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC15H15N3O7
  • Average mass349.296 Da
  • Monoisotopic mass349.091003 Da
  • ChemSpider ID22410053

More details:

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

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-[[(2-nitrobenzoyl)oxy]methyl]-2-oxo-, ethyl ester [ACD/Index Name]
6-{[(2-Nitrobenzoyl)oxy]méthyl}-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[(2-nitrobenzoyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[(2-nitrobenzoyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.53
ACD/KOC (pH 5.5): 187.77
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.53
ACD/KOC (pH 7.4): 187.72
Polar Surface Area: 140 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 253.6±3.0 cm3

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