ChemSpider 2D Image | 3-Chloro-4-(4-methyl-1-piperazinyl)benzoic acid | C12H15ClN2O2

3-Chloro-4-(4-methyl-1-piperazinyl)benzoic acid

  • Molecular FormulaC12H15ClN2O2
  • Average mass254.713 Da
  • Monoisotopic mass254.082199 Da
  • ChemSpider ID24605571

More details:

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

1197193-33-1 [RN]
3-Chlor-4-(4-methyl-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Chloro-4-(4-methyl-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
3-chloro-4-(4-methylpiperazin-1-yl)benzoic acid
Acide 3-chloro-4-(4-méthyl-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4-(4-methyl-1-piperazinyl)- [ACD/Index Name]
[1197193-33-1] [RN]
3-Chloro-4-(4-methyl-1-piperazinyl)benzoicAcid
3-Chloro-4-(4-methylpiperazin-1-yl)benzoicAcid
4-carbamimidoylpiperazine-1-carboxamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 413.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.2±3.0 kJ/mol
    Flash Point: 203.8±28.7 °C
    Index of Refraction: 1.590
    Molar Refractivity: 66.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.13
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.37
    Polar Surface Area: 44 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 197.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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