ChemSpider 2D Image | 4-[4-(Methylsulfonyl)-1-piperazinyl]-3-nitrobenzamide | C12H16N4O5S

4-[4-(Methylsulfonyl)-1-piperazinyl]-3-nitrobenzamide

  • Molecular FormulaC12H16N4O5S
  • Average mass328.344 Da
  • Monoisotopic mass328.084137 Da
  • ChemSpider ID22072177

More details:

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

4-[4-(Methylsulfonyl)-1-piperazinyl]-3-nitrobenzamid [German] [ACD/IUPAC Name]
4-[4-(Methylsulfonyl)-1-piperazinyl]-3-nitrobenzamide [ACD/IUPAC Name]
4-[4-(Méthylsulfonyl)-1-pipérazinyl]-3-nitrobenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[4-(methylsulfonyl)-1-piperazinyl]-3-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.8±60.0 °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: 276.6±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 78.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.71
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.71
Polar Surface Area: 138 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 214.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement