ChemSpider 2D Image | 3-Benzyl-5-chlorobenzoisoxazole | C14H10ClNO

3-Benzyl-5-chlorobenzoisoxazole

  • Molecular FormulaC14H10ClNO
  • Average mass243.688 Da
  • Monoisotopic mass243.045090 Da
  • ChemSpider ID21111764

More details:

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

1,2-Benzisoxazole, 5-chloro-3-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-5-chlor-1,2-benzoxazol [German] [ACD/IUPAC Name]
3-Benzyl-5-chloro-1,2-benzoxazole [ACD/IUPAC Name]
3-Benzyl-5-chloro-1,2-benzoxazole [French] [ACD/IUPAC Name]
3-Benzyl-5-chlorobenzoisoxazole
887573-14-0 [RN]
3-Benyl-5-Chlorobenzoisoxazol
3-Benyl-5-Chlorobenzoisoxazol (en)
3-Benzyl-5-chloro-benzoisoxazole
5-chloro-3-(phenylmethyl)-1,2-benzoxazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 381.3±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 184.4±23.7 °C
    Index of Refraction: 1.639
    Molar Refractivity: 68.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.21
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1831.64
    ACD/KOC (pH 5.5): 7535.95
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 1831.64
    ACD/KOC (pH 7.4): 7535.95
    Polar Surface Area: 26 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 190.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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