Found 64 results

Search term: MF = 'C_{22}H_{18}BrClN_{2}O_{6}'
ChemSpider 2D Image | (5E)-5-[2-(Allyloxy)-5-bromobenzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | C22H18BrClN2O6

(5E)-5-[2-(Allyloxy)-5-bromobenzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC22H18BrClN2O6
  • Average mass521.745 Da
  • Monoisotopic mass520.003662 Da
  • ChemSpider ID81223239

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-[2-(Allyloxy)-5-brombenzyliden]-1-(4-chlor-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
(5E)-5-[2-(Allyloxy)-5-bromobenzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-5-[2-(Allyloxy)-5-bromobenzylidène]-1-(4-chloro-2,5-diméthoxyphényl)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[5-bromo-2-(2-propen-1-yloxy)phenyl]methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-, (5E)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1315.53
ACD/KOC (pH 5.5): 5893.23
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 389.68
ACD/KOC (pH 7.4): 1745.68
Polar Surface Area: 94 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement