ChemSpider 2D Image | 2-[(E)-(5-Bromo-3-chloro-2-hydroxybenzylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile | C15H10BrClN2OS

2-[(E)-(5-Bromo-3-chloro-2-hydroxybenzylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

  • Molecular FormulaC15H10BrClN2OS
  • Average mass381.675 Da
  • Monoisotopic mass379.938568 Da
  • ChemSpider ID21862810

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-(5-Brom-3-chlor-2-hydroxybenzyliden)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-carbonitril [German] [ACD/IUPAC Name]
2-[(E)-(5-Bromo-3-chloro-2-hydroxybenzylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile [ACD/IUPAC Name]
2-[(E)-(5-Bromo-3-chloro-2-hydroxybenzylidène)amino]-5,6-dihydro-4H-cyclopenta[b]thiophène-3-carbonitrile [French] [ACD/IUPAC Name]
2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile
2-{[(E)-(5-Bromo-3-chloro-2-hydroxyphenyl)methylene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
4H-Cyclopenta[b]thiophene-3-carbonitrile, 2-[[(1E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylene]amino]-5,6-dihydro- [ACD/Index Name]
(E)-2-((5-bromo-3-chloro-2-hydroxybenzylidene)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
2-[(5-Bromo-3-chloro-2-hydroxy-benzylidene)-amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
2-{[(E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
355828-72-7 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 605.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.3±3.0 kJ/mol
    Flash Point: 319.8±31.5 °C
    Index of Refraction: 1.736
    Molar Refractivity: 89.8±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.85
    ACD/LogD (pH 5.5): 5.69
    ACD/BCF (pH 5.5): 11239.20
    ACD/KOC (pH 5.5): 24597.07
    ACD/LogD (pH 7.4): 4.27
    ACD/BCF (pH 7.4): 424.65
    ACD/KOC (pH 7.4): 929.35
    Polar Surface Area: 85 Å2
    Polarizability: 35.6±0.5 10-24cm3
    Surface Tension: 60.4±7.0 dyne/cm
    Molar Volume: 223.7±7.0 cm3

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