ChemSpider 2D Image | 3-Bromo-4-(1-pyrrolidinyl)benzoic acid | C11H12BrNO2

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

  • Molecular FormulaC11H12BrNO2
  • Average mass270.122 Da
  • Monoisotopic mass269.005127 Da
  • ChemSpider ID23960200

More details:

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

1131615-12-7 [RN]
3-Brom-4-(1-pyrrolidinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(1-pyrrolidinyl)benzoic acid [ACD/IUPAC Name]
3-bromo-4-(pyrrolidin-1-yl)benzoic acid
Acide 3-bromo-4-(1-pyrrolidinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-pyrrolidinyl)- [ACD/Index Name]
[1131615-12-7] [RN]
120728-10-1 [RN]
3-bromanyl-4-pyrrolidin-1-yl-benzoic acid
3-Bromo-4-(pyrrolidin-1-yl)benzoicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 417.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.7±3.0 kJ/mol
    Flash Point: 206.3±27.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 61.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.27
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 12.38
    ACD/KOC (pH 5.5): 113.93
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.35
    Polar Surface Area: 41 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 172.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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