ChemSpider 2D Image | 3-Chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-3-cyclohexen-1-one | C9H11ClN2O6

3-Chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-3-cyclohexen-1-one

  • Molecular FormulaC9H11ClN2O6
  • Average mass278.646 Da
  • Monoisotopic mass278.030579 Da
  • ChemSpider ID20058006

More details:

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

3-Chlor-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-3-cyclohexen-1-on [German] [ACD/IUPAC Name]
3-Chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-3-cyclohexen-1-one [ACD/IUPAC Name]
3-Chloro-6-hydroxy-2,4,6-triméthyl-2,5-dinitro-3-cyclohexén-1-one [French] [ACD/IUPAC Name]
3-Chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitrocyclohex-3-en-1-one
3-Cyclohexen-1-one, 3-chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 473.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 240.2±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 129 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 183.9±5.0 cm3

Click to predict properties on the Chemicalize site


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