Found 2 results

Search term: PGSQHOQUWSTZAJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-({[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C22H17BrN4O4

4-({[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC22H17BrN4O4
  • Average mass481.299 Da
  • Monoisotopic mass480.043304 Da
  • ChemSpider ID35408878

More details:

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

3H-Pyrazol-3-one, 4-[[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-({[5-(2-Brom-4-nitrophenyl)-2-furyl]methylen}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-({[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-({[5-(2-Bromo-4-nitrophényl)-2-furyl]méthylène}amino)-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC 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: 583.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.92
ACD/KOC (pH 5.5): 3165.91
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 547.43
ACD/KOC (pH 7.4): 3174.63
Polar Surface Area: 95 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 318.7±7.0 cm3

Click to predict properties on the Chemicalize site


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