ChemSpider 2D Image | 7-Chloro[1,3]dioxolo[4,5-g]isoquinoline-8-carbaldehyde | C11H6ClNO3

7-Chloro[1,3]dioxolo[4,5-g]isoquinoline-8-carbaldehyde

  • Molecular FormulaC11H6ClNO3
  • Average mass235.623 Da
  • Monoisotopic mass235.003616 Da
  • ChemSpider ID62977476

More details:

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

1,3-Dioxolo[4,5-g]isoquinoline-8-carboxaldehyde, 7-chloro- [ACD/Index Name]
7-Chlor[1,3]dioxolo[4,5-g]isochinolin-8-carbaldehyd [German] [ACD/IUPAC Name]
7-Chloro[1,3]dioxolo[4,5-g]isoquinoléine-8-carbaldéhyde [French] [ACD/IUPAC Name]
7-Chloro[1,3]dioxolo[4,5-g]isoquinoline-8-carbaldehyde [ACD/IUPAC Name]
55841-64-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 434.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.5±27.3 °C
Index of Refraction: 1.722
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.87
ACD/KOC (pH 5.5): 423.96
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.87
ACD/KOC (pH 7.4): 423.97
Polar Surface Area: 48 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 151.6±3.0 cm3

Click to predict properties on the Chemicalize site


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