ChemSpider 2D Image | 4-{(E)-[4-(Allyloxy)-3-iodo-5-methoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C22H22IN3O3

4-{(E)-[4-(Allyloxy)-3-iodo-5-methoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC22H22IN3O3
  • Average mass503.333 Da
  • Monoisotopic mass503.070587 Da
  • ChemSpider ID57287420

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 1,2-dihydro-4-[[(1E)-[3-iodo-5-methoxy-4-(2-propen-1-yloxy)phenyl]methylene]amino]-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-{(E)-[4-(Allyloxy)-3-iod-5-methoxybenzyliden]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{(E)-[4-(Allyloxy)-3-iodo-5-methoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{(E)-[4-(Allyloxy)-3-iodo-5-méthoxybenzylidène]amino}-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-[(E)-(3-IODO-5-METHOXY-4-PROP-2-ENOXYPHENYL)METHYLIDENEAMINO]-1,5-DIMETHYL-2-PHENYLPYRAZOL-3-ONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.3±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 10.24
ACD/KOC (pH 5.5): 67.63
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 214.69
ACD/KOC (pH 7.4): 1417.51
Polar Surface Area: 54 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 351.7±7.0 cm3

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