ChemSpider 2D Image | 1-(3-Chloro-4-nitrobenzyl)-4-(ethylsulfonyl)piperazine | C13H18ClN3O4S

1-(3-Chloro-4-nitrobenzyl)-4-(ethylsulfonyl)piperazine

  • Molecular FormulaC13H18ClN3O4S
  • Average mass347.818 Da
  • Monoisotopic mass347.070648 Da
  • ChemSpider ID35188175

More details:






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

1-(3-Chlor-4-nitrobenzyl)-4-(ethylsulfonyl)piperazin [German] [ACD/IUPAC Name]
1-(3-Chloro-4-nitrobenzyl)-4-(ethylsulfonyl)piperazine [ACD/IUPAC Name]
1-(3-Chloro-4-nitrobenzyl)-4-(éthylsulfonyl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(3-chloro-4-nitrophenyl)methyl]-4-(ethylsulfonyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 492.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.7±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.43
ACD/KOC (pH 5.5): 264.29
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 282.04
Polar Surface Area: 95 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 241.3±5.0 cm3

Click to predict properties on the Chemicalize site






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