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Search term: MF = 'C_{11}H_{12}BrN'
ChemSpider 2D Image | 5-Bromo-2-isobutylbenzonitrile | C11H12BrN

5-Bromo-2-isobutylbenzonitrile

  • Molecular FormulaC11H12BrN
  • Average mass238.124 Da
  • Monoisotopic mass237.015305 Da
  • ChemSpider ID26000233

More details:

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

5-Brom-2-isobutylbenzonitril [German] [ACD/IUPAC Name]
5-Bromo-2-isobutylbenzonitrile [ACD/IUPAC Name]
5-Bromo-2-isobutylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-bromo-2-(2-methylpropyl)- [ACD/Index Name]
[856167-67-4] [RN]
1-acetylpiperidine-4-carbonitrile
5-bromo-2-(2-methylpropyl)Benzonitrile
856167-67-4 [RN]
DS-4113
MFCD18910889 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 282.6±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 124.7±21.8 °C
    Index of Refraction: 1.555
    Molar Refractivity: 57.5±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 369.07
    ACD/KOC (pH 5.5): 2394.10
    ACD/LogD (pH 7.4): 3.68
    ACD/BCF (pH 7.4): 369.07
    ACD/KOC (pH 7.4): 2394.10
    Polar Surface Area: 24 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 43.5±5.0 dyne/cm
    Molar Volume: 179.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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