ChemSpider 2D Image | Methyl 5-bromo-6-oxohexahydro-4-pyridazinecarboxylate | C6H9BrN2O3

Methyl 5-bromo-6-oxohexahydro-4-pyridazinecarboxylate

  • Molecular FormulaC6H9BrN2O3
  • Average mass237.051 Da
  • Monoisotopic mass235.979645 Da
  • ChemSpider ID62177507

More details:

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

4-Pyridazinecarboxylic acid, 5-bromohexahydro-6-oxo-, methyl ester [ACD/Index Name]
5-Bromo-6-oxohexahydro-4-pyridazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-6-oxohexahydro-4-pyridazinecarboxylate [ACD/IUPAC Name]
Methyl-5-brom-6-oxohexahydro-4-pyridazincarboxylat [German] [ACD/IUPAC Name]
2090495-94-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 271.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 118.3±27.3 °C
Index of Refraction: 1.511
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.02
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.02
Polar Surface Area: 67 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 147.0±3.0 cm3

Click to predict properties on the Chemicalize site


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