ChemSpider 2D Image | 4-[(4-Chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate | C26H23ClN2O5S

4-[(4-Chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC26H23ClN2O5S
  • Average mass510.989 Da
  • Monoisotopic mass510.101624 Da
  • ChemSpider ID1731255

More details:

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

3,4,5-Triméthoxybenzoate de 4-[(4-chlorophényl)sulfanyl]-3-méthyl-1-phényl-1H-pyrazol-5-yle [French] [ACD/IUPAC Name]
4-[(4-Chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
4-[(4-Chlorphenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 4-[(4-chlorophenyl)thio]-3-methyl-1-phenyl-1H-pyrazol-5-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44153.89
ACD/KOC (pH 5.5): 73527.83
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44153.89
ACD/KOC (pH 7.4): 73527.83
Polar Surface Area: 97 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 395.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement