ChemSpider 2D Image | {5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-4-yl}(trifluoromethyl)sulfoniumolate | C12H7Cl2F6N3OS

{5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-4-yl}(trifluoromethyl)sulfoniumolate

  • Molecular FormulaC12H7Cl2F6N3OS
  • Average mass426.165 Da
  • Monoisotopic mass424.959106 Da
  • ChemSpider ID64854603

More details:

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

{5-Amino-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-3-methyl-1H-pyrazol-4-yl}(trifluormethyl)sulfoniumolat [German] [ACD/IUPAC Name]
{5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-4-yl}(trifluoromethyl)sulfoniumolate [ACD/IUPAC Name]
{5-Amino-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-3-méthyl-1H-pyrazol-4-yl}(trifluorométhyl)sulfoniumolate [French] [ACD/IUPAC Name]
120068-37-3 [RN]
Sulfonium, [5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-4-yl]hydroxy(trifluoromethyl)-, inner salt [ACD/Index Name]

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

QGH063955F [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 67 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 236.1±7.0 cm3

Click to predict properties on the Chemicalize site


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