ChemSpider 2D Image | {4'-[(2S)-2-Pentanyloxy]-4-biphenylyl}boronic acid | C17H21BO3

{4'-[(2S)-2-Pentanyloxy]-4-biphenylyl}boronic acid

  • Molecular FormulaC17H21BO3
  • Average mass284.158 Da
  • Monoisotopic mass284.158386 Da
  • ChemSpider ID113057866

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4'-[(2S)-2-Pentanyloxy]-4-biphenylyl}boronic acid [ACD/IUPAC Name]
{4'-[(2S)-2-Pentanyloxy]-4-biphenylyl}borsäure [German] [ACD/IUPAC Name]
Acide {4'-[(2S)-2-pentanyloxy]-4-biphénylyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4'-[(1S)-1-methylbutoxy][1,1'-biphenyl]-4-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1492.69
ACD/KOC (pH 5.5): 6507.77
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1409.30
ACD/KOC (pH 7.4): 6144.23
Polar Surface Area: 50 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

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