ChemSpider 2D Image | (4E)-4-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1-(3-chloro-4-fluorophenyl)-3,5-pyrazolidinedione | C17H11BrClFN2O4

(4E)-4-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1-(3-chloro-4-fluorophenyl)-3,5-pyrazolidinedione

  • Molecular FormulaC17H11BrClFN2O4
  • Average mass441.636 Da
  • Monoisotopic mass439.957458 Da
  • ChemSpider ID35517221

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(3-Brom-4-hydroxy-5-methoxybenzyliden)-1-(3-chlor-4-fluorphenyl)-3,5-pyrazolidindion [German] [ACD/IUPAC Name]
(4E)-4-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1-(3-chloro-4-fluorophenyl)-3,5-pyrazolidinedione [ACD/IUPAC Name]
(4E)-4-(3-Bromo-4-hydroxy-5-méthoxybenzylidène)-1-(3-chloro-4-fluorophényl)-3,5-pyrazolidinedione [French] [ACD/IUPAC Name]
3,5-Pyrazolidinedione, 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylene]-1-(3-chloro-4-fluorophenyl)-, (4E)- [ACD/Index Name]
(4E)-4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(3-chloro-4-fluorophenyl)pyrazolidine-3,5-dione

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.16
ACD/KOC (pH 5.5): 1504.77
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 50.66
ACD/KOC (pH 7.4): 390.59
Polar Surface Area: 79 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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