ChemSpider 2D Image | 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline | C9H9Cl2N

5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC9H9Cl2N
  • Average mass202.081 Da
  • Monoisotopic mass201.011200 Da
  • ChemSpider ID13801532

More details:

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

5,7-Dichlor-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
5,7-Dichloro-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
89315-56-0 [RN]
Isoquinoline, 5,7-dichloro-1,2,3,4-tetrahydro- [ACD/Index Name]
5,7-Dichloro-1,2,3,4-tetrahydro-isoquinoline
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL358790/
MFCD08544287

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 308.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 140.2±27.9 °C
    Index of Refraction: 1.574
    Molar Refractivity: 51.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 0.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.18
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 18.35
    ACD/KOC (pH 7.4): 152.07
    Polar Surface Area: 12 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 156.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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