ChemSpider 2D Image | 4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)oxy]benzonitrile | C14H10BNO3

4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)oxy]benzonitrile

  • Molecular FormulaC14H10BNO3
  • Average mass251.045 Da
  • Monoisotopic mass251.075378 Da
  • ChemSpider ID24717957

More details:

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

4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)oxy]benzonitril [German] [ACD/IUPAC Name]
4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)oxy]benzonitrile [ACD/IUPAC Name]
4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)oxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)oxy]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520314/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 418.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.6±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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