ChemSpider 2D Image | Methyl (3R)-3-(4,6-dichloro-5-pyrimidinyl)butanoate | C9H10Cl2N2O2

Methyl (3R)-3-(4,6-dichloro-5-pyrimidinyl)butanoate

  • Molecular FormulaC9H10Cl2N2O2
  • Average mass249.094 Da
  • Monoisotopic mass248.011932 Da
  • ChemSpider ID96646077

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(4,6-Dichloro-5-pyrimidinyl)butanoate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinepropanoic acid, 4,6-dichloro-β-methyl-, methyl ester, (βR)- [ACD/Index Name]
Methyl (3R)-3-(4,6-dichloro-5-pyrimidinyl)butanoate [ACD/IUPAC Name]
Methyl-(3R)-3-(4,6-dichlor-5-pyrimidinyl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 317.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 146.1±26.5 °C
Index of Refraction: 1.529
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.33
ACD/KOC (pH 5.5): 222.26
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 222.26
Polar Surface Area: 52 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 186.4±3.0 cm3

Click to predict properties on the Chemicalize site


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