ChemSpider 2D Image | 2-[4-Nitro-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline | C16H13F3N2O2

2-[4-Nitro-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC16H13F3N2O2
  • Average mass322.282 Da
  • Monoisotopic mass322.092926 Da
  • ChemSpider ID21521258

More details:

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

2-[4-Nitro-2-(trifluormethyl)phenyl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-[4-Nitro-2-(trifluorométhyl)phényl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[4-Nitro-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
914348-89-3 [RN]
Isoquinoline, 1,2,3,4-tetrahydro-2-[4-nitro-2-(trifluoromethyl)phenyl]- [ACD/Index Name]
[914348-89-3] [RN]
2-(4-Nitro-2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
2-[4-[2-Fluoro-4-(methylsulfonyl)phenyl]-piperazin-1-yl]ethanol
2-[4-nitro-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
3-Hydroxy-4-methyl-2-nitropyridine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 438.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 218.8±28.7 °C
    Index of Refraction: 1.572
    Molar Refractivity: 78.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.57
    ACD/LogD (pH 5.5): 5.06
    ACD/BCF (pH 5.5): 4132.61
    ACD/KOC (pH 5.5): 13492.34
    ACD/LogD (pH 7.4): 5.06
    ACD/BCF (pH 7.4): 4132.62
    ACD/KOC (pH 7.4): 13492.34
    Polar Surface Area: 49 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 236.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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