ChemSpider 2D Image | 1-Chloro-7-(trifluoromethyl)isoquinoline | C10H5ClF3N

1-Chloro-7-(trifluoromethyl)isoquinoline

  • Molecular FormulaC10H5ClF3N
  • Average mass231.602 Da
  • Monoisotopic mass231.006256 Da
  • ChemSpider ID28190566

More details:

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

1196154-02-5 [RN]
1-Chlor-7-(trifluormethyl)isochinolin [German] [ACD/IUPAC Name]
1-Chloro-7-(trifluorométhyl)isoquinoléine [French] [ACD/IUPAC Name]
1-Chloro-7-(trifluoromethyl)isoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-chloro-7-(trifluoromethyl)- [ACD/Index Name]
[1196154-02-5] [RN]
1-Chloro-7-trifluoromethyl-isoquinoline
3,4,5-TRIFLUOROPHENYLBORONICACID
3,4,5-Trifluorophenylboronicacid;3,4,5-Trifluorophenylboronic acid
435278-04-9 [RN]
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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: 296.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 133.0±25.9 °C
    Index of Refraction: 1.555
    Molar Refractivity: 52.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 197.38
    ACD/KOC (pH 5.5): 1529.59
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 197.38
    ACD/KOC (pH 7.4): 1529.63
    Polar Surface Area: 13 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 162.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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