ChemSpider 2D Image | (4E)-4-(3-Chloro-4-hydroxybenzylidene)-3-(chloromethyl)-1,2-oxazol-5(4H)-one | C11H7Cl2NO3

(4E)-4-(3-Chloro-4-hydroxybenzylidene)-3-(chloromethyl)-1,2-oxazol-5(4H)-one

  • Molecular FormulaC11H7Cl2NO3
  • Average mass272.084 Da
  • Monoisotopic mass270.980286 Da
  • ChemSpider ID21801203

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(3-Chlor-4-hydroxybenzyliden)-3-(chlormethyl)-1,2-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4E)-4-(3-Chloro-4-hydroxybenzylidene)-3-(chloromethyl)-1,2-oxazol-5(4H)-one [ACD/IUPAC Name]
(4E)-4-(3-Chloro-4-hydroxybenzylidène)-3-(chlorométhyl)-1,2-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Isoxazolone, 4-[(3-chloro-4-hydroxyphenyl)methylene]-3-(chloromethyl)-, (4E)- [ACD/Index Name]
(4E)-4-(3-Chloro-4-hydroxybenzylidene)-3-(chloromethyl)isoxazol-5(4H)-one
(E)-4-(3-chloro-4-hydroxybenzylidene)-3-(chloromethyl)isoxazol-5(4H)-one
1142199-91-4 [RN]
4-[(3-chloro-4-hydroxyphenyl)methylene]-3-(chloromethyl)isoxazol-5-one

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

MFCD12027834 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 393.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.8±3.0 kJ/mol
    Flash Point: 191.7±30.7 °C
    Index of Refraction: 1.636
    Molar Refractivity: 63.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 84.51
    ACD/KOC (pH 5.5): 831.40
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 50.48
    ACD/KOC (pH 7.4): 496.65
    Polar Surface Area: 59 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 52.8±7.0 dyne/cm
    Molar Volume: 177.1±7.0 cm3

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