ChemSpider 2D Image | 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-ethylsulfinyl]-1H-pyrazole-3-carbonitrile | C13H9Cl2F3N4OS

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-ethylsulfinyl]-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC13H9Cl2F3N4OS
  • Average mass397.203 Da
  • Monoisotopic mass395.982635 Da
  • ChemSpider ID34985120
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-(1R)-ethylsulfinyl]- [ACD/Index Name]
5-Amino-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-4-[(R)-ethylsulfinyl]-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-ethylsulfinyl]-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
5-Amino-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-4-[(R)-éthylsulfinyl]-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]
181587-01-9 [RN]
ethiprole (prov) [BSI] [ISO]
UNII-5527E53JNB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.46
ACD/KOC (pH 5.5): 1746.06
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.46
ACD/KOC (pH 7.4): 1746.06
Polar Surface Area: 104 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 234.9±7.0 cm3

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