ChemSpider 2D Image | 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]-1H-pyrazole | C12H4Cl2F6N4

1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]-1H-pyrazole

  • Molecular FormulaC12H4Cl2F6N4
  • Average mass389.083 Da
  • Monoisotopic mass387.971710 Da
  • ChemSpider ID23187731

More details:

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

1-[2,6-Dichlor-4-(trifluormethyl)phenyl]-4-[3-(trifluormethyl)-3H-diaziren-3-yl]-1H-pyrazol [German] [ACD/IUPAC Name]
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]-1H-pyrazole [ACD/IUPAC Name]
1-[2,6-Dichloro-4-(trifluorométhyl)phényl]-4-[3-(trifluorométhyl)-3H-diazirén-3-yl]-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]- [ACD/Index Name]
1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-trifluoromethyl-3H-diazirin-3-yl)-1H-pyrazole
CHEMBL329306
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL329306/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 350.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 166.0±30.7 °C
Index of Refraction: 1.590
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7830.91
ACD/KOC (pH 5.5): 21319.70
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7830.92
ACD/KOC (pH 7.4): 21319.72
Polar Surface Area: 43 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 217.3±7.0 cm3

Click to predict properties on the Chemicalize site


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