ChemSpider 2D Image | 5-(4-Bromophenyl)nicotinic acid | C12H8BrNO2

5-(4-Bromophenyl)nicotinic acid

  • Molecular FormulaC12H8BrNO2
  • Average mass278.101 Da
  • Monoisotopic mass276.973846 Da
  • ChemSpider ID21540784

More details:

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

3-Pyridinecarboxylic acid, 5-(4-bromophenyl)- [ACD/Index Name]
5-(4-Bromophenyl)nicotinic acid [ACD/IUPAC Name]
5-(4-Bromphenyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 5-(4-bromophényl)nicotinique [French] [ACD/IUPAC Name]
[887973-36-6] [RN]
14714-50-2 [RN]
5-(4-bromophenyl)-3-Pyridinecarboxylic acid
5-(4-BROMOPHENYL)PYRIDINE-3-CARBOXYLIC ACID
887973-36-6 [RN]
MFCD06410263 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 463.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.4±3.0 kJ/mol
    Flash Point: 234.4±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: 3.17
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 1.89
    ACD/KOC (pH 5.5): 13.80
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.43
    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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