ChemSpider 2D Image | [3-(2,3-Dihydro-1,4-benzoxazepin-4(5H)-ylmethyl)phenyl]boronic acid | C16H18BNO3

[3-(2,3-Dihydro-1,4-benzoxazepin-4(5H)-ylmethyl)phenyl]boronic acid

  • Molecular FormulaC16H18BNO3
  • Average mass283.130 Da
  • Monoisotopic mass283.137970 Da
  • ChemSpider ID40287646

More details:

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

[3-(2,3-Dihydro-1,4-benzoxazepin-4(5H)-ylmethyl)phenyl]boronic acid [ACD/IUPAC Name]
[3-(2,3-Dihydro-1,4-benzoxazepin-4(5H)-ylmethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [3-(2,3-dihydro-1,4-benzoxazépin-4(5H)-ylméthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)methyl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 473.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 240.4±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.74
ACD/KOC (pH 5.5): 31.79
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 34.62
ACD/KOC (pH 7.4): 401.28
Polar Surface Area: 53 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 225.7±5.0 cm3

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