ChemSpider 2D Image | MFCD00222525 | C18H15Br2N3O2

MFCD00222525

  • Molecular FormulaC18H15Br2N3O2
  • Average mass465.139 Da
  • Monoisotopic mass462.953094 Da
  • ChemSpider ID22902315

  • 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)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(Z)-(3,5-Dibrom-2-hydroxybenzyliden)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(Z)-(3,5-Dibromo-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(Z)-(3,5-Dibromo-2-hydroxybenzylidène)amino]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-{[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
MFCD00222525
4-((3,5-DIBROMO-2-HO-BENZYLIDENE)-AMINO)-1,5-DIMETHYL-2-PH-1,2-2H-PYRAZOL-3-ONE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 507.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 260.5±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 43.91
ACD/KOC (pH 5.5): 195.30
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 30.34
ACD/KOC (pH 7.4): 134.95
Polar Surface Area: 56 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

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