ChemSpider 2D Image | 3,3,3-Trifluoro-2-methyl-2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)amino]propanoic acid | C8H9F3N4O4

3,3,3-Trifluoro-2-methyl-2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)amino]propanoic acid

  • Molecular FormulaC8H9F3N4O4
  • Average mass282.177 Da
  • Monoisotopic mass282.057587 Da
  • ChemSpider ID51673988

More details:

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

3,3,3-Trifluor-2-methyl-2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)amino]propansäure [German] [ACD/IUPAC Name]
3,3,3-Trifluoro-2-methyl-2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)amino]propanoic acid [ACD/IUPAC Name]
Acide 3,3,3-trifluoro-2-méthyl-2-[(1-méthyl-4-nitro-1H-pyrazol-3-yl)amino]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3,3,3-trifluoro-2-methyl-2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 451.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.0±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 170.8±7.0 cm3

Click to predict properties on the Chemicalize site


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