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Search term: PXJCLNPAGNIXTJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[4-(Methylsulfonyl)-3-nitrophenyl]piperazine | C11H15N3O4S

1-[4-(Methylsulfonyl)-3-nitrophenyl]piperazine

  • Molecular FormulaC11H15N3O4S
  • Average mass285.319 Da
  • Monoisotopic mass285.078339 Da
  • ChemSpider ID22484447

More details:

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

1-[4-(Methylsulfonyl)-3-nitrophenyl]piperazin [German] [ACD/IUPAC Name]
1-[4-(Methylsulfonyl)-3-nitrophenyl]piperazine [ACD/IUPAC Name]
1-[4-(Méthylsulfonyl)-3-nitrophényl]pipérazine [French] [ACD/IUPAC Name]
1095010-43-7 [RN]
Piperazine, 1-[4-(methylsulfonyl)-3-nitrophenyl]- [ACD/Index Name]
1-(4-(methylsulfonyl)-3-nitrophenyl)piperazine
1-(4-METHANESULFONYL-3-NITROPHENYL)PIPERAZINE
1-(4-methylsulfonyl-3-nitrophenyl)piperazine
1-[4-(Methanesulfonyl)-3-nitrophenyl]piperazine
1122-91-4 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 546.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±3.0 kJ/mol
    Flash Point: 284.3±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 70.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.02
    ACD/LogD (pH 5.5): -2.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.32
    Polar Surface Area: 104 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 211.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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