ChemSpider 2D Image | 3-Bromo-4-(4-methyl-1-piperazinyl)benzoic acid | C12H15BrN2O2

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

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID23954054

More details:

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

1131622-55-3 [RN]
3-Brom-4-(4-methyl-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(4-methyl-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
3-bromo-4-(4-methylpiperazin-1-yl)benzoic acid
Acide 3-bromo-4-(4-méthyl-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(4-methyl-1-piperazinyl)- [ACD/Index Name]
[1131622-55-3] [RN]
3205-25-2 [RN]
3-bromanyl-4-(4-methylpiperazin-1-yl)benzoic acid
3-bromo-4-(4-methylpiperazinyl)benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 432.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.6±3.0 kJ/mol
    Flash Point: 215.6±28.7 °C
    Index of Refraction: 1.605
    Molar Refractivity: 69.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.33
    ACD/LogD (pH 7.4): -0.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.55
    Polar Surface Area: 44 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 201.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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