ChemSpider 2D Image | [3-(Ethoxycarbonyl)-5-isoquinolinyl]boronic acid | C12H12BNO4

[3-(Ethoxycarbonyl)-5-isoquinolinyl]boronic acid

  • Molecular FormulaC12H12BNO4
  • Average mass245.039 Da
  • Monoisotopic mass245.085938 Da
  • ChemSpider ID67867868

More details:

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

[3-(Ethoxycarbonyl)-5-isochinolinyl]borsäure [German] [ACD/IUPAC Name]
[3-(Ethoxycarbonyl)-5-isoquinolinyl]boronic acid [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 5-borono-, ethyl ester [ACD/Index Name]
Acide [3-(éthoxycarbonyl)-5-isoquinoléinyl]boronique [French] [ACD/IUPAC Name]
(3-(Ethoxycarbonyl)isoquinolin-5-yl)boronic acid
MFCD31727809

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.4±29.6 °C
Index of Refraction: 1.609
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.90
ACD/KOC (pH 5.5): 225.33
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 42.97
Polar Surface Area: 80 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 186.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement