ChemSpider 2D Image | (2E)-4-{[4-Chloro-3-(ethoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid | C13H12ClNO5

(2E)-4-{[4-Chloro-3-(ethoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid

  • Molecular FormulaC13H12ClNO5
  • Average mass297.691 Da
  • Monoisotopic mass297.040405 Da
  • ChemSpider ID21832200

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-{[4-Chlor-3-(ethoxycarbonyl)phenyl]amino}-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-{[4-Chloro-3-(ethoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid [ACD/IUPAC Name]
Acide (2E)-4-{[4-chloro-3-(éthoxycarbonyl)phényl]amino}-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[(2E)-3-carboxy-1-oxo-2-propen-1-yl]amino]-2-chloro-, 1-ethyl ester [ACD/Index Name]
(2E)-3-{[4-chloro-3-(ethoxycarbonyl)phenyl]carbamoyl}prop-2-enoic acid
(2E)-4-{[4-chloro-3-(ethoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
(E)-4-((4-chloro-3-(ethoxycarbonyl)phenyl)amino)-4-oxobut-2-enoic acid
(E)-4-(4-chloro-3-ethoxycarbonylanilino)-4-oxobut-2-enoic acid
528592-28-1 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 526.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.3±3.0 kJ/mol
    Flash Point: 272.2±30.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 72.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): -0.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 58.1±3.0 dyne/cm
    Molar Volume: 210.1±3.0 cm3

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