ChemSpider 2D Image | 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzamide | C9H6F3N3O

4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzamide

  • Molecular FormulaC9H6F3N3O
  • Average mass229.159 Da
  • Monoisotopic mass229.046295 Da
  • ChemSpider ID71043985

More details:

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

1216997-96-4 [RN]
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzamide
4-[3-(Trifluormethyl)-3H-diaziren-3-yl]benzamid [German] [ACD/IUPAC Name]
4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]benzamide [ACD/IUPAC Name]
4-[3-(Trifluorométhyl)-3H-diazirén-3-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]- [ACD/Index Name]
4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzamide
4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
MFCD31922731

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 308.6±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 140.4±30.7 °C
    Index of Refraction: 1.591
    Molar Refractivity: 48.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.91
    ACD/KOC (pH 5.5): 285.43
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.91
    ACD/KOC (pH 7.4): 285.43
    Polar Surface Area: 68 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 143.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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