ChemSpider 2D Image | 5-[3-(Trifluoromethoxy)phenyl]nicotinic acid | C13H8F3NO3

5-[3-(Trifluoromethoxy)phenyl]nicotinic acid

  • Molecular FormulaC13H8F3NO3
  • Average mass283.203 Da
  • Monoisotopic mass283.045624 Da
  • ChemSpider ID21540789

More details:

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

3-Pyridinecarboxylic acid, 5-[3-(trifluoromethoxy)phenyl]- [ACD/Index Name]
5-[3-(Trifluormethoxy)phenyl]nicotinsäure [German] [ACD/IUPAC Name]
5-[3-(Trifluoromethoxy)phenyl]nicotinic acid [ACD/IUPAC Name]
Acide 5-[3-(trifluorométhoxy)phényl]nicotinique [French] [ACD/IUPAC Name]
[924854-23-9] [RN]
1462-86-8 [RN]
5-(3-(Trifluoromethoxy)phenyl)nicotinic acid
5-(3-Trifluoromethoxyphenyl)nicotinic acid
5-(3-Trifluoromethoxyphenyl)-nicotinic acid
5-[3-(trifluoromethoxy)phenyl]-3-Pyridine carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 396.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 193.9±27.9 °C
    Index of Refraction: 1.540
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 1.89
    ACD/KOC (pH 5.5): 13.81
    ACD/LogD (pH 7.4): 0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.41
    Polar Surface Area: 59 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 200.9±3.0 cm3

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