ChemSpider 2D Image | 3-(6-Bromo-2-pyridinyl)benzoic acid | C12H8BrNO2

3-(6-Bromo-2-pyridinyl)benzoic acid

  • Molecular FormulaC12H8BrNO2
  • Average mass278.101 Da
  • Monoisotopic mass276.973846 Da
  • ChemSpider ID21521284

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

3-(6-Brom-2-pyridinyl)benzoesäure [German] [ACD/IUPAC Name]
3-(6-Bromo-2-pyridinyl)benzoic acid [ACD/IUPAC Name]
3-(6-Bromopyridin-2-yl)benzoic acid
914349-44-3 [RN]
Acide 3-(6-bromo-2-pyridinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(6-bromo-2-pyridinyl)- [ACD/Index Name]
[914349-44-3] [RN]
1-(2-Pyridinyl)-3-piperidinecarboxylic acid;TIMTEC-BB SBB011141;
3-(6-bromo-2-pyridyl)benzoic acid
3-(6-Bromo-pyridin-2-yl)-benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 445.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 223.2±25.9 °C
    Index of Refraction: 1.639
    Molar Refractivity: 63.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 4.64
    ACD/KOC (pH 5.5): 36.73
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.49
    Polar Surface Area: 50 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 57.9±3.0 dyne/cm
    Molar Volume: 176.7±3.0 cm3

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