ChemSpider 2D Image | (3-(Bromomethyl)-1-(p-toluenesulfonyl)azetidin-3-yl)methanol | C12H16BrNO3S

(3-(Bromomethyl)-1-(p-toluenesulfonyl)azetidin-3-yl)methanol

  • Molecular FormulaC12H16BrNO3S
  • Average mass334.229 Da
  • Monoisotopic mass333.003418 Da
  • ChemSpider ID25182173

More details:

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

(3-(Bromomethyl)-1-(p-toluenesulfonyl)azetidin-3-yl)methanol
[3-(bromomethyl)-1-(4-methylbenzenesulfonyl)azetidin-3-yl]methanol
{3-(Brommethyl)-1-[(4-methylphenyl)sulfonyl]-3-azetidinyl}methanol [German] [ACD/IUPAC Name]
{3-(Bromomethyl)-1-[(4-methylphenyl)sulfonyl]-3-azetidinyl}methanol [ACD/IUPAC Name]
{3-(Bromométhyl)-1-[(4-méthylphényl)sulfonyl]-3-azétidinyl}méthanol [French] [ACD/IUPAC Name]
1041026-55-4 [RN]
3-Azetidinemethanol, 3-(bromomethyl)-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
MFCD18782897 [MDL number]
(3-(Bromomethyl)-1-( p-tolylsulfonyl)azetidin-3-yl)methanol
(3-(BROMOMETHYL)-1-(PARA-TOLUENESULFONYL)AZETIDIN-3-YL)METHANOL
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 462.7±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 233.6±30.4 °C
    Index of Refraction: 1.603
    Molar Refractivity: 74.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 19.02
    ACD/KOC (pH 5.5): 286.57
    ACD/LogD (pH 7.4): 1.99
    ACD/BCF (pH 7.4): 19.02
    ACD/KOC (pH 7.4): 286.57
    Polar Surface Area: 66 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 53.0±3.0 dyne/cm
    Molar Volume: 216.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement