ChemSpider 2D Image | 2-(Chloromethyl)-1,3-benzoxazole-6-carbonitrile | C9H5ClN2O

2-(Chloromethyl)-1,3-benzoxazole-6-carbonitrile

  • Molecular FormulaC9H5ClN2O
  • Average mass192.602 Da
  • Monoisotopic mass192.009033 Da
  • ChemSpider ID33290544

More details:

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

2-(Chlormethyl)-1,3-benzoxazol-6-carbonitril [German] [ACD/IUPAC Name]
2-(Chloromethyl)-1,3-benzoxazole-6-carbonitrile [ACD/IUPAC Name]
2-(Chlorométhyl)-1,3-benzoxazole-6-carbonitrile [French] [ACD/IUPAC Name]
6-Benzoxazolecarbonitrile, 2-(chloromethyl)- [ACD/Index Name]
2-(Chloromethyl)-6-cyanobenzo[d]oxazole
2-Chloromethyl-benzooxazole-6-carbonitrile
944903-35-9 [RN]
MFCD10696625

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 325.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.7±3.0 kJ/mol
    Flash Point: 150.4±22.3 °C
    Index of Refraction: 1.628
    Molar Refractivity: 48.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 1.95
    ACD/BCF (pH 5.5): 17.77
    ACD/KOC (pH 5.5): 273.00
    ACD/LogD (pH 7.4): 1.95
    ACD/BCF (pH 7.4): 17.77
    ACD/KOC (pH 7.4): 273.00
    Polar Surface Area: 50 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 62.9±5.0 dyne/cm
    Molar Volume: 137.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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