ChemSpider 2D Image | 5-Chloro-1-benzothiophene-2-carbonitrile | C9H4ClNS

5-Chloro-1-benzothiophene-2-carbonitrile

  • Molecular FormulaC9H4ClNS
  • Average mass193.653 Da
  • Monoisotopic mass192.975296 Da
  • ChemSpider ID23077581

More details:

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

23622-24-4 [RN]
5-Chlor-1-benzothiophen-2-carbonitril [German] [ACD/IUPAC Name]
5-Chloro-1-benzothiophene-2-carbonitrile [ACD/IUPAC Name]
5-Chloro-1-benzothiophène-2-carbonitrile [French] [ACD/IUPAC Name]
5-chlorobenzo[b]thiophene-2-carbonitrile
Benzo[b]thiophene-2-carbonitrile, 5-chloro- [ACD/Index Name]
[23622-24-4] [RN]
5-chloro-1-benzo[b]thiophene-2-carbonitrile
95%
chlorobenzothiophenecarbonitrile
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 347.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.2±3.0 kJ/mol
    Flash Point: 164.2±22.3 °C
    Index of Refraction: 1.691
    Molar Refractivity: 51.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.63
    ACD/LogD (pH 5.5): 3.86
    ACD/BCF (pH 5.5): 501.62
    ACD/KOC (pH 5.5): 2982.15
    ACD/LogD (pH 7.4): 3.86
    ACD/BCF (pH 7.4): 501.62
    ACD/KOC (pH 7.4): 2982.15
    Polar Surface Area: 52 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 135.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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