ChemSpider 2D Image | 4-(3-Bromo-4-fluorobenzyl)-2-piperazinone | C11H12BrFN2O

4-(3-Bromo-4-fluorobenzyl)-2-piperazinone

  • Molecular FormulaC11H12BrFN2O
  • Average mass287.128 Da
  • Monoisotopic mass286.011688 Da
  • ChemSpider ID31613779

More details:

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

2-Piperazinone, 4-[(3-bromo-4-fluorophenyl)methyl]- [ACD/Index Name]
4-(3-Brom-4-fluorbenzyl)-2-piperazinon [German] [ACD/IUPAC Name]
4-(3-Bromo-4-fluorobenzyl)-2-piperazinone [ACD/IUPAC Name]
4-(3-Bromo-4-fluorobenzyl)-2-pipérazinone [French] [ACD/IUPAC Name]
1250405-04-9 [RN]
4-[(3-bromo-4-fluorophenyl)methyl]piperazin-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 423.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.0±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 27.59
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 115.19
Polar Surface Area: 32 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 188.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement