ChemSpider 2D Image | (5-Bromo-2-methoxyphenyl)(chloro)acetonitrile | C9H7BrClNO

(5-Bromo-2-methoxyphenyl)(chloro)acetonitrile

  • Molecular FormulaC9H7BrClNO
  • Average mass260.515 Da
  • Monoisotopic mass258.939941 Da
  • ChemSpider ID29380101

More details:

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

(5-Brom-2-methoxyphenyl)(chlor)acetonitril [German] [ACD/IUPAC Name]
(5-Bromo-2-methoxyphenyl)(chloro)acetonitrile [ACD/IUPAC Name]
(5-Bromo-2-méthoxyphényl)(chloro)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 5-bromo-α-chloro-2-methoxy- [ACD/Index Name]
(5-Bromo-2-methoxy-phenyl)-chloro-acetonitrile
1250587-61-1 [RN]
2-(5-bromo-2-methoxyphenyl)-2-chloroacetonitrile
AKOS011223299
MFCD16146941

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 349.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 164.9±27.9 °C
    Index of Refraction: 1.568
    Molar Refractivity: 54.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.92
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 143.30
    ACD/KOC (pH 5.5): 1216.31
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 143.30
    ACD/KOC (pH 7.4): 1216.31
    Polar Surface Area: 33 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 168.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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