ChemSpider 2D Image | 5-Chloro-6-[3-(2-methyl-2-propanyl)phenoxy]nicotinic acid | C16H16ClNO3

5-Chloro-6-[3-(2-methyl-2-propanyl)phenoxy]nicotinic acid

  • Molecular FormulaC16H16ClNO3
  • Average mass305.756 Da
  • Monoisotopic mass305.081879 Da
  • ChemSpider ID23079600

More details:

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

1099115-90-8 [RN]
3-Pyridinecarboxylic acid, 5-chloro-6-[3-(1,1-dimethylethyl)phenoxy]- [ACD/Index Name]
5-Chlor-6-[3-(2-methyl-2-propanyl)phenoxy]nicotinsäure [German] [ACD/IUPAC Name]
5-Chloro-6-[3-(2-methyl-2-propanyl)phenoxy]nicotinic acid [ACD/IUPAC Name]
6-(3-tert-butylphenoxy)-5-chloropyridine-3-carboxylic acid
Acide 5-chloro-6-[3-(2-méthyl-2-propanyl)phénoxy]nicotinique [French] [ACD/IUPAC Name]
3-pyridinecarboxylic acid, 5-chloro-6-[3-(1,1-dimethylethyl)phenoxy]
6-(3-(tert-Butyl)phenoxy)-5-chloronicotinic acid
6-(3-tert-butylphenoxy)-5-chloronicotinic acid
MFCD13248686 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 412.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 203.0±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 81.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 6.97
    ACD/KOC (pH 5.5): 33.73
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.93
    Polar Surface Area: 59 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 244.4±3.0 cm3

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