ChemSpider 2D Image | 3-{(E)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-bromobenzenesulfonate | C24H20BrN3O4S

3-{(E)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-bromobenzenesulfonate

  • Molecular FormulaC24H20BrN3O4S
  • Average mass526.402 Da
  • Monoisotopic mass525.035767 Da
  • ChemSpider ID24741146

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(E)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-bromobenzenesulfonate [ACD/IUPAC Name]
3-{(E)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl-4-brombenzolsulfonat [German] [ACD/IUPAC Name]
4-Bromobenzènesulfonate de 3-{(E)-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)imino]méthyl}phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-bromo-, 3-[(E)-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino]methyl]phenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 21.96
ACD/KOC (pH 5.5): 127.57
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 390.64
ACD/KOC (pH 7.4): 2269.64
Polar Surface Area: 88 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 365.7±7.0 cm3

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