ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(2-chloro-5-nitro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate | C13H17ClN4O5

2-Methyl-2-propanyl 3-[(2-chloro-5-nitro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H17ClN4O5
  • Average mass344.751 Da
  • Monoisotopic mass344.088745 Da
  • ChemSpider ID29309722

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[(2-chloro-5-nitro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(2-chloro-5-nitro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(2-chlor-5-nitro-4-pyrimidinyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[(2-Chloro-5-nitro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-[(2-chloro-5-nitropyrimidin-4-yl)oxy]pyrrolidine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.24
ACD/KOC (pH 5.5): 310.11
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.24
ACD/KOC (pH 7.4): 310.11
Polar Surface Area: 110 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 246.7±3.0 cm3

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