ChemSpider 2D Image | 5-[(Z)-({3-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}hydrazono)methyl]-2-methylbenzenesulfonic acid | C18H18ClF3N4O4S

5-[(Z)-({3-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}hydrazono)methyl]-2-methylbenzenesulfonic acid

  • Molecular FormulaC18H18ClF3N4O4S
  • Average mass478.873 Da
  • Monoisotopic mass478.068939 Da
  • ChemSpider ID81913060

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-1-propanoic acid, 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-, α-[2-[(1Z)-(4-methyl-3-sulfophenyl)methylene]hydrazide] [ACD/Index Name]
5-[(Z)-({3-[4-Chlor-5-cyclopropyl-3-(trifluormethyl)-1H-pyrazol-1-yl]propanoyl}hydrazono)methyl]-2-methylbenzolsulfonsäure [German] [ACD/IUPAC Name]
5-[(Z)-({3-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}hydrazono)methyl]-2-methylbenzenesulfonic acid [ACD/IUPAC Name]
Acide 5-[(Z)-({3-[4-chloro-5-cyclopropyl-3-(trifluorométhyl)-1H-pyrazol-1-yl]propanoyl}hydrazono)méthyl]-2-méthylbenzènesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 298.9±7.0 cm3

Click to predict properties on the Chemicalize site


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