ChemSpider 2D Image | [2-(8-Hydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-3-thienyl]boronic acid | C13H14BNO3S

[2-(8-Hydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-3-thienyl]boronic acid

  • Molecular FormulaC13H14BNO3S
  • Average mass275.131 Da
  • Monoisotopic mass275.078735 Da
  • ChemSpider ID83592256

More details:

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

[2-(8-Hydroxy-1,2,3,4-tetrahydro-1-isochinolinyl)-3-thienyl]borsäure [German] [ACD/IUPAC Name]
[2-(8-Hydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-3-thienyl]boronic acid [ACD/IUPAC Name]
Acide [2-(8-hydroxy-1,2,3,4-tétrahydro-1-isoquinoléinyl)-3-thiényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(1,2,3,4-tetrahydro-8-hydroxy-1-isoquinolinyl)-3-thienyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 453.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 228.0±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 35.19
Polar Surface Area: 101 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 192.3±5.0 cm3

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