ChemSpider 2D Image | Methyl (1R,5S)-6-(4-chloro-3-methylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate | C15H18ClN3O3

Methyl (1R,5S)-6-(4-chloro-3-methylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate

  • Molecular FormulaC15H18ClN3O3
  • Average mass323.775 Da
  • Monoisotopic mass323.103668 Da
  • ChemSpider ID21447278

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6-(4-Chloro-3-méthylphényl)-8-méthyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
3,6,8-Triazabicyclo[3.2.1]octane-5-carboxylic acid, 6-(4-chloro-3-methylphenyl)-8-methyl-4-oxo-, methyl ester, (1R,5S)- [ACD/Index Name]
Methyl (1R,5S)-6-(4-chloro-3-methylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate [ACD/IUPAC Name]
Methyl-(1R,5S)-6-(4-chlor-3-methylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octan-5-carboxylat [German] [ACD/IUPAC Name]
UPENNABS005
ZL_007

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 120.51
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.68
ACD/KOC (pH 7.4): 120.68
Polar Surface Area: 62 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 242.4±3.0 cm3

Click to predict properties on the Chemicalize site


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