ChemSpider 2D Image | 2-(5-Oxazolyl)benzonitrile | C10H6N2O

2-(5-Oxazolyl)benzonitrile

  • Molecular FormulaC10H6N2O
  • Average mass170.167 Da
  • Monoisotopic mass170.048019 Da
  • ChemSpider ID26051335

More details:

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

1186127-13-8 [RN]
2-(1,3-Oxazol-5-yl)benzonitril [German] [ACD/IUPAC Name]
2-(1,3-Oxazol-5-yl)benzonitrile [ACD/IUPAC Name]
2-(1,3-Oxazol-5-yl)benzonitrile [French] [ACD/IUPAC Name]
2-(5-Oxazolyl)benzonitrile
2-(Oxazol-5-yl)benzonitrile
Benzonitrile, 2-(5-oxazolyl)- [ACD/Index Name]
[1186127-13-8] [RN]
732245-62-4 [RN]
7-Benzyl-2,7-diazaspiro[3.5]nonan-1-one [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 361.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 172.7±23.2 °C
    Index of Refraction: 1.600
    Molar Refractivity: 46.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 1.51
    ACD/BCF (pH 5.5): 8.28
    ACD/KOC (pH 5.5): 158.07
    ACD/LogD (pH 7.4): 1.51
    ACD/BCF (pH 7.4): 8.28
    ACD/KOC (pH 7.4): 158.07
    Polar Surface Area: 50 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 59.3±5.0 dyne/cm
    Molar Volume: 135.4±5.0 cm3

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