ChemSpider 2D Image | 4-Chloro-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile | C13H8Cl2N2OS

4-Chloro-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile

  • Molecular FormulaC13H8Cl2N2OS
  • Average mass311.186 Da
  • Monoisotopic mass309.973450 Da
  • ChemSpider ID21749849

More details:

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

2-Thiazoleacetonitrile, α-(2-chloroacetyl)-4-(4-chlorophenyl)- [ACD/Index Name]
4-Chlor-2-[4-(4-chlorphenyl)-1,3-thiazol-2-yl]-3-oxobutannitril [German] [ACD/IUPAC Name]
4-Chloro-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile [ACD/IUPAC Name]
4-Chloro-2-[4-(4-chlorophényl)-1,3-thiazol-2-yl]-3-oxobutanenitrile [French] [ACD/IUPAC Name]
4-chloro-2-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)-3-oxobutanenitrile
MFCD09880969

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 442.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.2±28.7 °C
    Index of Refraction: 1.613
    Molar Refractivity: 75.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.78
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 82 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 217.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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