ChemSpider 2D Image | 2-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile | C14H10BNO3

2-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile

  • Molecular FormulaC14H10BNO3
  • Average mass251.045 Da
  • Monoisotopic mass251.075378 Da
  • ChemSpider ID24713775

More details:

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

2-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitril [German] [ACD/IUPAC Name]
2-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile [ACD/IUPAC Name]
2-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]- [ACD/Index Name]
2-[(1-Hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
4-descyano-2-cyano-crisaborole
906673-30-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509478/

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 414.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 204.7±31.5 °C
    Index of Refraction: 1.629
    Molar Refractivity: 67.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 62 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 59.3±5.0 dyne/cm
    Molar Volume: 188.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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