ChemSpider 2D Image | 1-(3-Bromophenyl)-3-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-pyrrole-2,5-dione | C16H17BrClN3O3

1-(3-Bromophenyl)-3-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC16H17BrClN3O3
  • Average mass414.681 Da
  • Monoisotopic mass413.014160 Da
  • ChemSpider ID60128968

More details:

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

1-(3-Bromophenyl)-3-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-(3-Bromophényl)-3-chloro-4-[4-(2-hydroxyéthyl)-1-pipérazinyl]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1-(3-Bromphenyl)-3-chlor-4-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-(3-bromophenyl)-3-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 517.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.8±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 9.01
ACD/KOC (pH 7.4): 141.24
Polar Surface Area: 64 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 244.5±5.0 cm3

Click to predict properties on the Chemicalize site


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