ChemSpider 2D Image | {3-Ethoxy-5-[(4-ethynylphenyl)ethynyl]phenyl}boronic acid | C18H15BO3

{3-Ethoxy-5-[(4-ethynylphenyl)ethynyl]phenyl}boronic acid

  • Molecular FormulaC18H15BO3
  • Average mass290.121 Da
  • Monoisotopic mass290.111420 Da
  • ChemSpider ID94114380

More details:

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

{3-[(4-Ethinylphenyl)ethinyl]-5-ethoxyphenyl}borsäure [German] [ACD/IUPAC Name]
{3-Ethoxy-5-[(4-ethynylphenyl)ethynyl]phenyl}boronic acid [ACD/IUPAC Name]
Acide {3-éthoxy-5-[(4-éthynylphényl)éthynyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-ethoxy-5-[2-(4-ethynylphenyl)ethynyl]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.8±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.81
ACD/KOC (pH 5.5): 3236.44
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 304.95
ACD/KOC (pH 7.4): 1747.38
Polar Surface Area: 50 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 238.3±5.0 cm3

Click to predict properties on the Chemicalize site


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