ChemSpider 2D Image | 3-Bromo-4-(1-piperidinylmethyl)benzoic acid | C13H16BrNO2

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

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID23960244

More details:

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

1131594-42-7 [RN]
3-Brom-4-(1-piperidinylmethyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(1-piperidinylmethyl)benzoic acid [ACD/IUPAC Name]
3-bromo-4-(piperidin-1-ylmethyl)benzoic acid
Acide 3-bromo-4-(1-pipéridinylméthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-piperidinylmethyl)- [ACD/Index Name]
3-Bromo-4-[(piperidin-1-yl)methyl]benzoic acid
MFCD11110908 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 400.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±3.0 kJ/mol
    Flash Point: 196.1±27.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 70.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.25
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.81
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.72
    Polar Surface Area: 41 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 204.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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