ChemSpider 2D Image | (4aS)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one | C11H11Cl2N3O

(4aS)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one

  • Molecular FormulaC11H11Cl2N3O
  • Average mass272.130 Da
  • Monoisotopic mass271.027924 Da
  • ChemSpider ID23153342

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4aS)-8,9-Dichlor-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]chinoxalin-5(6H)-on [German] [ACD/IUPAC Name]
(4aS)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one [ACD/IUPAC Name]
(4aS)-8,9-Dichloro-2,3,4,4a-tétrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one [French] [ACD/IUPAC Name]
1H-Pyrazino[1,2-a]quinoxalin-5(6H)-one, 8,9-dichloro-2,3,4,4a-tetrahydro-, (4aS)- [ACD/Index Name]
(S)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
(S)-8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one
276694-96-3 [RN]
CHEMBL60830

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

Density: 1.5±0.1 g/cm3
Boiling Point: 513.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.6±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.86
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 20.76
ACD/KOC (pH 7.4): 226.48
Polar Surface Area: 44 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 176.1±5.0 cm3

Click to predict properties on the Chemicalize site


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