ChemSpider 2D Image | 5-Bromo-8-chloro-3,4-dihydro-1(2H)-isoquinolinone | C9H7BrClNO

5-Bromo-8-chloro-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC9H7BrClNO
  • Average mass260.515 Da
  • Monoisotopic mass258.939941 Da
  • ChemSpider ID60989734

More details:

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

1(2H)-Isoquinolinone, 5-bromo-8-chloro-3,4-dihydro- [ACD/Index Name]
5-Brom-8-chlor-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
5-Bromo-8-chloro-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
5-Bromo-8-chloro-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
1469749-00-5 [RN]
5-bromo-8-chloro-1,2,3,4-tetrahydroisoquinolin-1-one
MFCD21705881

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

Density: 1.7±0.1 g/cm3
Boiling Point: 491.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.9±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.83
ACD/KOC (pH 5.5): 681.78
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.83
ACD/KOC (pH 7.4): 681.78
Polar Surface Area: 29 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

Click to predict properties on the Chemicalize site


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