ChemSpider 2D Image | 2-Bromo-4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-6-methoxyphenyl 4-methylbenzenesulfonate | C26H24BrN3O5S

2-Bromo-4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-6-methoxyphenyl 4-methylbenzenesulfonate

  • Molecular FormulaC26H24BrN3O5S
  • Average mass570.455 Da
  • Monoisotopic mass569.062012 Da
  • ChemSpider ID30657677

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Brom-4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-6-methoxyphenyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
2-Bromo-4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-6-methoxyphenyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[[(1E)-[3-bromo-5-methoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-Méthylbenzènesulfonate de 2-bromo-4-{(E)-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)imino]méthyl}-6-méthoxyphényle [French] [ACD/IUPAC 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: 673.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.2±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 97.85
ACD/KOC (pH 5.5): 439.58
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1135.56
ACD/KOC (pH 7.4): 5101.58
Polar Surface Area: 97 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 402.5±7.0 cm3

Click to predict properties on the Chemicalize site


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