ChemSpider 2D Image | 3-Isoquinolinylboronic acid | C9H8BNO2

3-Isoquinolinylboronic acid

  • Molecular FormulaC9H8BNO2
  • Average mass172.976 Da
  • Monoisotopic mass173.064804 Da
  • ChemSpider ID28535412

More details:

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

(ISOQUINOLIN-3-YL)BORONIC ACID
1219080-59-7 [RN]
3-Isochinolinylborsäure [German] [ACD/IUPAC Name]
3-Isoquinolinylboronic acid [ACD/IUPAC Name]
Acide 3-isoquinoléinylboronique [French] [ACD/IUPAC Name]
Boronic acid, B-3-isoquinolinyl- [ACD/Index Name]
[1219080-59-7] [RN]
1219080-59-7?
Isoquinolin-3-ylboronic acid
Isoquinolin-3-ylboronicacid
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 419.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 207.3±26.5 °C
Index of Refraction: 1.645
Molar Refractivity: 48.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 132.98
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.01
Polar Surface Area: 53 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 134.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement