Found 1 result

Search term: MWLUBAHPGKKPAA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(5-Bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-2-piperazinone | C12H13BrN4O3

4-(5-Bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-2-piperazinone

  • Molecular FormulaC12H13BrN4O3
  • Average mass341.161 Da
  • Monoisotopic mass340.017090 Da
  • ChemSpider ID29812259

More details:

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

2-Piperazinone, 4-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl- [ACD/Index Name]
4-(5-Brom-3-nitro-2-pyridinyl)-1-cyclopropyl-2-piperazinon [German] [ACD/IUPAC Name]
4-(5-Bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-2-piperazinone [ACD/IUPAC Name]
4-(5-Bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-2-pipérazinone [French] [ACD/IUPAC Name]
4-(5-BROMO-3-NITROPYRIDIN-2-YL)-1-CYCLOPROPYLPIPERAZIN-2-ONE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.23
ACD/KOC (pH 5.5): 208.99
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.23
ACD/KOC (pH 7.4): 209.00
Polar Surface Area: 82 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site


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