ChemSpider 2D Image | 2-(3-Bromo-4-fluorophenyl)-1-[2-methyl-4-(3-pyridinylmethyl)-1-piperazinyl]ethanone | C19H21BrFN3O

2-(3-Bromo-4-fluorophenyl)-1-[2-methyl-4-(3-pyridinylmethyl)-1-piperazinyl]ethanone

  • Molecular FormulaC19H21BrFN3O
  • Average mass406.292 Da
  • Monoisotopic mass405.085205 Da
  • ChemSpider ID65246213

More details:

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

2-(3-Brom-4-fluorphenyl)-1-[2-methyl-4-(3-pyridinylmethyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(3-Bromo-4-fluorophenyl)-1-[2-methyl-4-(3-pyridinylmethyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(3-Bromo-4-fluorophényl)-1-[2-méthyl-4-(3-pyridinylméthyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(3-bromo-4-fluorophenyl)-1-[2-methyl-4-(3-pyridinylmethyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 45.86
ACD/KOC (pH 5.5): 464.47
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.30
ACD/KOC (pH 7.4): 772.82
Polar Surface Area: 36 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 292.4±3.0 cm3

Click to predict properties on the Chemicalize site


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