ChemSpider 2D Image | 3-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one | C19H20ClN3O2

3-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC19H20ClN3O2
  • Average mass357.834 Da
  • Monoisotopic mass357.124420 Da
  • ChemSpider ID21131237

More details:

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

2(3H)-Benzoxazolone, 3-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-5-methyl- [ACD/Index Name]
3-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-{[4-(2-Chlorophényl)-1-pipérazinyl]méthyl}-5-méthyl-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
3-{[4-(2-Chlorphenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 513.8±60.0 °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: 264.5±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 181.68
ACD/KOC (pH 5.5): 1250.32
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.31
ACD/KOC (pH 7.4): 2046.10
Polar Surface Area: 36 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 271.7±3.0 cm3

Click to predict properties on the Chemicalize site


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