ChemSpider 2D Image | 1-[(4-Bromo-2,6-dimethylphenyl)sulfonyl]-4-piperidinol | C13H18BrNO3S

1-[(4-Bromo-2,6-dimethylphenyl)sulfonyl]-4-piperidinol

  • Molecular FormulaC13H18BrNO3S
  • Average mass348.256 Da
  • Monoisotopic mass347.019073 Da
  • ChemSpider ID32076603

More details:

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

1-[(4-Brom-2,6-dimethylphenyl)sulfonyl]-4-piperidinol [German] [ACD/IUPAC Name]
1-[(4-Bromo-2,6-dimethylphenyl)sulfonyl]-4-piperidinol [ACD/IUPAC Name]
1-[(4-Bromo-2,6-diméthylphényl)sulfonyl]-4-pipéridinol [French] [ACD/IUPAC Name]
1704068-83-6 [RN]
4-Piperidinol, 1-[(4-bromo-2,6-dimethylphenyl)sulfonyl]- [ACD/Index Name]
1-((4-bromo-2,6-dimethylphenyl)sulfonyl)piperidin-4-ol
1-Bromo-4-(1-bromoethyl)benzene [ACD/IUPAC Name]
24308-78-9 [RN]
MFCD28400290

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 476.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 241.7±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 79.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 110.62
    ACD/KOC (pH 5.5): 1010.64
    ACD/LogD (pH 7.4): 2.99
    ACD/BCF (pH 7.4): 110.62
    ACD/KOC (pH 7.4): 1010.64
    Polar Surface Area: 66 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 53.4±3.0 dyne/cm
    Molar Volume: 230.5±3.0 cm3

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