ChemSpider 2D Image | 1,8-Dichloroisoquinoline | C9H5Cl2N

1,8-Dichloroisoquinoline

  • Molecular FormulaC9H5Cl2N
  • Average mass198.049 Da
  • Monoisotopic mass196.979904 Da
  • ChemSpider ID26694808

More details:

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

1,8-Dichlorisochinolin [German] [ACD/IUPAC Name]
1,8-Dichloroisoquinoléine [French] [ACD/IUPAC Name]
1,8-Dichloroisoquinoline [ACD/IUPAC Name]
848841-64-5 [RN]
Isoquinoline, 1,8-dichloro- [ACD/Index Name]
"1,8-DICHLOROISOQUINOLINE"|"1,8-DICHLOROISOQUINOLINE"
[848841-64-5] [RN]
1,8-DICHLOROISOQUINOLIN
1,8-dichloro-isoquinoline
DS-3757
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 327.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.7±3.0 kJ/mol
    Flash Point: 182.0±7.9 °C
    Index of Refraction: 1.661
    Molar Refractivity: 52.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 159.26
    ACD/KOC (pH 5.5): 1311.78
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 159.27
    ACD/KOC (pH 7.4): 1311.86
    Polar Surface Area: 13 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 140.7±3.0 cm3

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