ChemSpider 2D Image | Methyl 2-bromo-4-methoxy-8-oxo-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine-4-carboxylate | C11H13BrN2O4

Methyl 2-bromo-4-methoxy-8-oxo-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine-4-carboxylate

  • Molecular FormulaC11H13BrN2O4
  • Average mass317.136 Da
  • Monoisotopic mass316.005859 Da
  • ChemSpider ID32674804

More details:

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

2-Bromo-4-méthoxy-8-oxo-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azépine-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-bromo-4-methoxy-8-oxo-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine-4-carboxylate [ACD/IUPAC Name]
Methyl-2-brom-4-methoxy-8-oxo-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-4-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[2,3-c]azepine-4-carboxylic acid, 2-bromo-1,4,5,6,7,8-hexahydro-4-methoxy-8-oxo-, methyl ester [ACD/Index Name]
callyspongisine D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 553.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.7±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 66.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.11
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 103.11
Polar Surface Area: 80 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 193.1±5.0 cm3

Click to predict properties on the Chemicalize site


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