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ChemSpider 2D Image | Methyl 3-bromo-4-(1-piperidinyl)benzoate | C13H16BrNO2

Methyl 3-bromo-4-(1-piperidinyl)benzoate

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID23960246

More details:

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

1131594-44-9 [RN]
3-Bromo-4-(1-pipéridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-(1-piperidinyl)benzoate [ACD/IUPAC Name]
methyl 3-bromo-4-(piperidin-1-yl)benzoate
Methyl-3-brom-4-(1-piperidinyl)benzoat [German] [ACD/IUPAC Name]
methyl-3-bromo-4-(piperidin-1-yl)benzoate
MFCD11110910 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 395.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.6±3.0 kJ/mol
    Flash Point: 193.0±25.1 °C
    Index of Refraction: 1.567
    Molar Refractivity: 70.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.00
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 447.08
    ACD/KOC (pH 5.5): 2743.82
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 448.47
    ACD/KOC (pH 7.4): 2752.40
    Polar Surface Area: 30 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 215.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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