ChemSpider 2D Image | 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H-pyrazole-3-carbonitrile | C15H5Cl2F3N4O2

1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC15H5Cl2F3N4O2
  • Average mass401.127 Da
  • Monoisotopic mass399.974152 Da
  • ChemSpider ID21130575

More details:

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

1-[2,6-Dichlor-4-(trifluormethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
1-[2,6-Dichloro-4-(trifluorométhyl)phényl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carbonitrile, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)- [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: 506.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.8±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.60
ACD/KOC (pH 5.5): 260.04
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.60
ACD/KOC (pH 7.4): 260.04
Polar Surface Area: 79 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 238.8±7.0 cm3

Click to predict properties on the Chemicalize site


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