ChemSpider 2D Image | (5-Bromo-3-pyridinyl)methyl methanesulfonate | C7H8BrNO3S

(5-Bromo-3-pyridinyl)methyl methanesulfonate

  • Molecular FormulaC7H8BrNO3S
  • Average mass266.112 Da
  • Monoisotopic mass264.940826 Da
  • ChemSpider ID51408053

More details:

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

(5-Brom-3-pyridinyl)methyl-methansulfonat [German] [ACD/IUPAC Name]
(5-Bromo-3-pyridinyl)methyl methanesulfonate [ACD/IUPAC Name]
3-Pyridinemethanol, 5-bromo-, methanesulfonate (ester) [ACD/Index Name]
Méthanesulfonate de (5-bromo-3-pyridinyl)méthyle [French] [ACD/IUPAC Name]
(5-BROMOPYRIDIN-3-YL)METHYL METHANESULFONATE
145743-86-8 [RN]
MFCD26395936

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 424.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 65.2±3.0 kJ/mol
    Flash Point: 210.4±25.9 °C
    Index of Refraction: 1.569
    Molar Refractivity: 52.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 4.67
    ACD/KOC (pH 5.5): 104.83
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 4.67
    ACD/KOC (pH 7.4): 104.85
    Polar Surface Area: 65 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 159.1±3.0 cm3

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