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Search term: MF = 'C_{11}H_{13}BrN_{2}O_{2}'
ChemSpider 2D Image | 3-Bromo-4-(1-piperazinyl)benzoic acid | C11H13BrN2O2

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

  • Molecular FormulaC11H13BrN2O2
  • Average mass285.137 Da
  • Monoisotopic mass284.016022 Da
  • ChemSpider ID23960275

More details:

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

1131594-67-6 [RN]
3-Brom-4-(1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(1-piperazinyl)benzoic acid [ACD/IUPAC Name]
3-bromo-4-(piperazin-1-yl)benzoic acid
Acide 3-bromo-4-(1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-piperazinyl)- [ACD/Index Name]
[1131594-67-6] [RN]
1128-74-1 [RN]
3-bromo-4-(Piperazin-1-yl)benzoicacid
3-Bromo-4-piperazinobenzoic Acid
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: 462.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 233.6±28.7 °C
    Index of Refraction: 1.607
    Molar Refractivity: 64.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): -0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.07
    ACD/LogD (pH 7.4): -0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.10
    Polar Surface Area: 53 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 186.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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