ChemSpider 2D Image | Methyl 2-[(E)-2-(5-chloro-2-thienyl)vinyl]-6-methoxybenzoate | C15H13ClO3S

Methyl 2-[(E)-2-(5-chloro-2-thienyl)vinyl]-6-methoxybenzoate

  • Molecular FormulaC15H13ClO3S
  • Average mass308.780 Da
  • Monoisotopic mass308.027405 Da
  • ChemSpider ID24599852

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-2-(5-Chloro-2-thiényl)vinyl]-6-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
365542-86-5 [RN]
Benzoic acid, 2-[(E)-2-(5-chloro-2-thienyl)ethenyl]-6-methoxy-, methyl ester [ACD/Index Name]
Methyl 2-[(1E)-2-(5-chloro-2-thienyl)ethenyl]-6-methoxybenzoate
Methyl 2-[(E)-2-(5-chloro-2-thienyl)vinyl]-6-methoxybenzoate [ACD/IUPAC Name]
Methyl-2-[(E)-2-(5-chlor-2-thienyl)vinyl]-6-methoxybenzoat [German] [ACD/IUPAC Name]
2-[2-(5-Chloro-thiophen-2-yl)-vinyl]-6-methoxy-benzoic acid methyl ester
methyl 2-[(1E)-2-(5-chlorothiophen-2-yl)ethenyl]-6-methoxybenzoate
Methyl 2-[(E)-2-(5-chloro-2-thienyl)vinyl]-6-methoxy-benzoate
methyl 2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-6-methoxybenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 447.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.7±28.7 °C
    Index of Refraction: 1.643
    Molar Refractivity: 85.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.18
    ACD/LogD (pH 5.5): 4.66
    ACD/BCF (pH 5.5): 2053.87
    ACD/KOC (pH 5.5): 8179.67
    ACD/LogD (pH 7.4): 4.66
    ACD/BCF (pH 7.4): 2053.87
    ACD/KOC (pH 7.4): 8179.67
    Polar Surface Area: 64 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 236.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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