ChemSpider 2D Image | 2-Propyn-1-yl (2E)-3-(3,4-dichloro-5-nitrophenyl)acrylate | C12H7Cl2NO4

2-Propyn-1-yl (2E)-3-(3,4-dichloro-5-nitrophenyl)acrylate

  • Molecular FormulaC12H7Cl2NO4
  • Average mass300.094 Da
  • Monoisotopic mass298.975220 Da
  • ChemSpider ID35510894

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Dichloro-5-nitrophényl)acrylate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dichloro-5-nitrophenyl)-, 2-propyn-1-yl ester, (2E)- [ACD/Index Name]
2-Propin-1-yl-(2E)-3-(3,4-dichlor-5-nitrophenyl)acrylat [German] [ACD/IUPAC Name]
2-Propyn-1-yl (2E)-3-(3,4-dichloro-5-nitrophenyl)acrylate [ACD/IUPAC Name]
(E)-prop-2-yn-1-yl 3-(3,4-dichloro-5-nitrophenyl)acrylate
2-propenoic acid, 3-(3,4-dichloro-5-nitrophenyl)-, 2-propynyl ester, (2E)-
3-(3,4-Dichloro-5-nitro-phenyl)-acrylic acid prop-2-ynyl ester
MFCD28251323
prop-2-yn-1-yl (2E)-3-(3,4-dichloro-5-nitrophenyl)acrylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 428.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.7±28.7 °C
    Index of Refraction: 1.628
    Molar Refractivity: 72.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 231.14
    ACD/KOC (pH 5.5): 1712.63
    ACD/LogD (pH 7.4): 3.41
    ACD/BCF (pH 7.4): 231.14
    ACD/KOC (pH 7.4): 1712.63
    Polar Surface Area: 72 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 58.2±3.0 dyne/cm
    Molar Volume: 202.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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