ChemSpider 2D Image | 2-(Benzyloxy)-4-bromobenzonitrile | C14H10BrNO

2-(Benzyloxy)-4-bromobenzonitrile

  • Molecular FormulaC14H10BrNO
  • Average mass288.139 Da
  • Monoisotopic mass286.994568 Da
  • ChemSpider ID28420055

More details:

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

2-(Benzyloxy)-4-brombenzonitril [German] [ACD/IUPAC Name]
2-(Benzyloxy)-4-bromobenzonitrile [ACD/IUPAC Name]
2-(Benzyloxy)-4-bromobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-bromo-2-(phenylmethoxy)- [ACD/Index Name]
[693232-03-0] [RN]
2-BENZYLOXY-4-BROMOBENZONITRILE
4-bromo-2-phenylmethoxybenzonitrile
693232-03-0 [RN]
MFCD19237200 [MDL number]
OT-1505

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 405.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 198.9±24.6 °C
    Index of Refraction: 1.635
    Molar Refractivity: 70.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.41
    ACD/LogD (pH 5.5): 4.53
    ACD/BCF (pH 5.5): 1645.14
    ACD/KOC (pH 5.5): 6978.40
    ACD/LogD (pH 7.4): 4.53
    ACD/BCF (pH 7.4): 1645.14
    ACD/KOC (pH 7.4): 6978.40
    Polar Surface Area: 33 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 56.4±5.0 dyne/cm
    Molar Volume: 195.8±5.0 cm3

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