ChemSpider 2D Image | 4-[(Z)-(3-Bromo-5-chloro-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C18H15BrClN3O2

4-[(Z)-(3-Bromo-5-chloro-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC18H15BrClN3O2
  • Average mass420.688 Da
  • Monoisotopic mass419.003601 Da
  • ChemSpider ID30655055

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 4-[[(1Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(Z)-(3-Brom-5-chlor-2-hydroxybenzyliden)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(Z)-(3-Bromo-5-chloro-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(Z)-(3-Bromo-5-chloro-2-hydroxybenzylidène)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: 500.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 256.3±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 45.81
ACD/KOC (pH 5.5): 213.41
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 33.27
ACD/KOC (pH 7.4): 155.01
Polar Surface Area: 56 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

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