ChemSpider 2D Image | Diethyl [1-(3-bromophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]phosphonate | C19H20BrN2O4P

Diethyl [1-(3-bromophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]phosphonate

  • Molecular FormulaC19H20BrN2O4P
  • Average mass451.251 Da
  • Monoisotopic mass450.034393 Da
  • ChemSpider ID122668504

More details:

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

[1-(3-Bromophényl)-5-hydroxy-3-phényl-1H-pyrazol-4-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [1-(3-bromophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[1-(3-bromphenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[1-(3-bromophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index 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: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 208.40
ACD/KOC (pH 5.5): 1501.68
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 13.76
ACD/KOC (pH 7.4): 99.13
Polar Surface Area: 83 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

Click to predict properties on the Chemicalize site


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