ChemSpider 2D Image | 1,6-Dichloro-9H-beta-carboline | C11H6Cl2N2

1,6-Dichloro-9H-β-carboline

  • Molecular FormulaC11H6Cl2N2
  • Average mass237.085 Da
  • Monoisotopic mass235.990799 Da
  • ChemSpider ID62963979

More details:

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

1,6-Dichlor-9H-β-carbolin [German] [ACD/IUPAC Name]
1,6-Dichloro-9H-β-carboline [ACD/IUPAC Name]
1,6-Dichloro-9H-β-carboline [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole, 1,6-dichloro- [ACD/Index Name]
102337-46-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 455.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 261.7±12.9 °C
Index of Refraction: 1.780
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 661.55
ACD/KOC (pH 5.5): 3417.39
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 819.89
ACD/KOC (pH 7.4): 4235.37
Polar Surface Area: 29 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 153.1±3.0 cm3

Click to predict properties on the Chemicalize site


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