ChemSpider 2D Image | 2-[4-(Dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3(2H)-one | C16H13F3N4O

2-[4-(Dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3(2H)-one

  • Molecular FormulaC16H13F3N4O
  • Average mass334.296 Da
  • Monoisotopic mass334.104156 Da
  • ChemSpider ID26457794

More details:

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

1,2,4-Benzotriazin-3(2H)-one, 2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)- [ACD/Index Name]
1338494-76-0 [RN]
2-[4-(Dimethylamino)phenyl]-7-(trifluormethyl)-1,2,4-benzotriazin-3(2H)-on [German] [ACD/IUPAC Name]
2-[4-(Dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3(2H)-one [ACD/IUPAC Name]
2-[4-(Diméthylamino)phényl]-7-(trifluorométhyl)-1,2,4-benzotriazin-3(2H)-one [French] [ACD/IUPAC Name]
2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)-2,3-dihydro-1,2,4-benzotriazin-3-one
1,2,4-benzotriazin-3(2H)-one, 2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)
2-(4-(Dimethylamino)phenyl)-7-(trifluoromethyl)benzo[e][1,2,4]triazin-3(2H)-one
2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3-one
MFCD20441328 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 405.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 199.0±31.5 °C
    Index of Refraction: 1.595
    Molar Refractivity: 83.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 7.13
    ACD/KOC (pH 5.5): 105.19
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 19.96
    ACD/KOC (pH 7.4): 294.75
    Polar Surface Area: 48 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 41.3±7.0 dyne/cm
    Molar Volume: 245.2±7.0 cm3

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