ChemSpider 2D Image | 3-(4-Bromophenyl)oxetane | C9H9BrO

3-(4-Bromophenyl)oxetane

  • Molecular FormulaC9H9BrO
  • Average mass213.071 Da
  • Monoisotopic mass211.983673 Da
  • ChemSpider ID28467437

More details:

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

1402158-49-9 [RN]
3-(4-Bromophenyl)oxetane [ACD/IUPAC Name]
3-(4-Bromophényl)oxétane [French] [ACD/IUPAC Name]
3-(4-Bromphenyl)oxetan [German] [ACD/IUPAC Name]
MFCD22628728 [MDL number]
Oxetane, 3-(4-bromophenyl)- [ACD/Index Name]
(3-HYDROXY-OXETAN-3-YL METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
3-(4-BROMOPHENYL)OXETANE|3-(4-BROMOPHENYL)OXETANE

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 268.8±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.6±3.0 kJ/mol
    Flash Point: 106.4±25.1 °C
    Index of Refraction: 1.583
    Molar Refractivity: 47.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 98.28
    ACD/KOC (pH 5.5): 928.59
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 98.28
    ACD/KOC (pH 7.4): 928.59
    Polar Surface Area: 9 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 142.4±3.0 cm3

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