ChemSpider 2D Image | (4-Chlorophenyl){[(E)-({5-[(3-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylene)amino]oxy}methanone | C19H12Cl2F3N3O2S

(4-Chlorophenyl){[(E)-({5-[(3-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylene)amino]oxy}methanone

  • Molecular FormulaC19H12Cl2F3N3O2S
  • Average mass474.284 Da
  • Monoisotopic mass472.997925 Da
  • ChemSpider ID30657205

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-Chlorophenyl){[(E)-({5-[(3-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylene)amino]oxy}methanone [ACD/IUPAC Name]
(4-Chlorophényl){[(E)-({5-[(3-chlorophényl)sulfanyl]-1-méthyl-3-(trifluorométhyl)-1H-pyrazol-4-yl}méthylène)amino]oxy}méthanone [French] [ACD/IUPAC Name]
(4-Chlorphenyl){[(E)-({5-[(3-chlorphenyl)sulfanyl]-1-methyl-3-(trifluormethyl)-1H-pyrazol-4-yl}methylen)amino]oxy}methanon [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxaldehyde, 5-[(3-chlorophenyl)thio]-1-methyl-3-(trifluoromethyl)-, O-(4-chlorobenzoyl)oxime [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.5±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50338.08
ACD/KOC (pH 5.5): 80760.57
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50338.08
ACD/KOC (pH 7.4): 80760.57
Polar Surface Area: 82 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 323.0±7.0 cm3

Click to predict properties on the Chemicalize site


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