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

4-Bromo-2-(4-methyl-1-piperazinyl)benzoic acid

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID24605556

More details:

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

1099687-04-3 [RN]
4-Brom-2-(4-methyl-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
4-Bromo-2-(4-methyl-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
4-bromo-2-(4-methylpiperazin-1-yl)benzoic acid
Acide 4-bromo-2-(4-méthyl-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-2-(4-methyl-1-piperazinyl)- [ACD/Index Name]
MFCD11651821 [MDL number]
[1099687-04-3] [RN]
1450-76-6 [RN]
39910-98-0 [RN]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 420.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 208.3±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: 2.80
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.19
    ACD/LogD (pH 7.4): 0.02
    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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