ChemSpider 2D Image | [3-(Benzyloxy)-1-cyanocyclobutyl]methyl 4-methylbenzenesulfonate | C20H21NO4S

[3-(Benzyloxy)-1-cyanocyclobutyl]methyl 4-methylbenzenesulfonate

  • Molecular FormulaC20H21NO4S
  • Average mass371.450 Da
  • Monoisotopic mass371.119141 Da
  • ChemSpider ID34452169

More details:

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

[3-(Benzyloxy)-1-cyancyclobutyl]methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
[3-(Benzyloxy)-1-cyanocyclobutyl]methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
1-[[[(4-Methylphenyl)sulfonyl]oxy]methyl]-3-(phenylmethoxy)cyclobutanecarbonitrile
1181816-15-8 [RN]
4-Méthylbenzènesulfonate de [3-(benzyloxy)-1-cyanocyclobutyl]méthyle [French] [ACD/IUPAC Name]
Cyclobutanecarbonitrile, 1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-3-(phenylmethoxy)- [ACD/Index Name]
(3-(benzyloxy)-1-cyanocyclobutyl)methyl 4-methylbenzenesulfonate
(3-(Benzyloxy)-1-cyanocyclobutyl)-methyl 4-methylbenzenesulfonate
(3-(benzyloxy)-1-cyanocyclobutyl)methyl4-methylbenzenesulfonate
MFCD27957008

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 548.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 285.7±28.7 °C
    Index of Refraction: 1.601
    Molar Refractivity: 98.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 245.69
    ACD/KOC (pH 5.5): 1789.12
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 245.69
    ACD/KOC (pH 7.4): 1789.12
    Polar Surface Area: 85 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 56.8±5.0 dyne/cm
    Molar Volume: 288.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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