ChemSpider 2D Image | Ethyl 4-[2-nitro-5-(trifluoromethyl)phenyl]-1-piperazinecarboxylate | C14H16F3N3O4

Ethyl 4-[2-nitro-5-(trifluoromethyl)phenyl]-1-piperazinecarboxylate

  • Molecular FormulaC14H16F3N3O4
  • Average mass347.290 Da
  • Monoisotopic mass347.109283 Da
  • ChemSpider ID29739252

More details:

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

1-Piperazinecarboxylic acid, 4-[2-nitro-5-(trifluoromethyl)phenyl]-, ethyl ester [ACD/Index Name]
4-[2-Nitro-5-(trifluorométhyl)phényl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[2-nitro-5-(trifluoromethyl)phenyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[2-nitro-5-(trifluormethyl)phenyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1330750-58-7 [RN]
ethyl 4-[2-nitro-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate
HF-0013
MFCD19982805 [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: 445.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 223.3±28.7 °C
    Index of Refraction: 1.524
    Molar Refractivity: 77.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 193.87
    ACD/KOC (pH 5.5): 1510.09
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 193.87
    ACD/KOC (pH 7.4): 1510.11
    Polar Surface Area: 79 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 252.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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