ChemSpider 2D Image | 2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide | C12H9F3N2O2

2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide

  • Molecular FormulaC12H9F3N2O2
  • Average mass270.207 Da
  • Monoisotopic mass270.061615 Da
  • ChemSpider ID26470822

More details:

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

108605-62-5 [RN]
163451-81-8 [RN]
2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-Cyan-3-hydroxy-N-[4-(trifluormethyl)phenyl]-2-butenamid [German] [ACD/IUPAC Name]
2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide [ACD/IUPAC Name]
2-Cyano-3-hydroxy-N-[4-(trifluorométhyl)phényl]-2-buténamide [French] [ACD/IUPAC Name]
1185240-22-5 [RN]
2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
A77 1726-D4
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A77 1726 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 410.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±3.0 kJ/mol
    Flash Point: 202.3±28.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 60.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 4.59
    ACD/KOC (pH 5.5): 66.87
    ACD/LogD (pH 7.4): -0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.16
    Polar Surface Area: 73 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 45.4±3.0 dyne/cm
    Molar Volume: 189.7±3.0 cm3

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