ChemSpider 2D Image | (1E,4E)-1,5-Bis(3-bromo-4-hydroxyphenyl)-1,4-pentadien-3-one | C17H12Br2O3

(1E,4E)-1,5-Bis(3-bromo-4-hydroxyphenyl)-1,4-pentadien-3-one

  • Molecular FormulaC17H12Br2O3
  • Average mass424.083 Da
  • Monoisotopic mass421.915314 Da
  • ChemSpider ID23317466

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,4E)-1,5-Bis(3-brom-4-hydroxyphenyl)-1,4-pentadien-3-on [German] [ACD/IUPAC Name]
(1E,4E)-1,5-Bis(3-bromo-4-hydroxyphenyl)-1,4-pentadien-3-one [ACD/IUPAC Name]
(1E,4E)-1,5-Bis(3-bromo-4-hydroxyphényl)-1,4-pentadién-3-one [French] [ACD/IUPAC Name]
(1E,4E)-1,5-bis(3-bromo-4-hydroxyphenyl)penta-1,4-dien-3-one
1,4-Pentadien-3-one, 1,5-bis(3-bromo-4-hydroxyphenyl)-, (1E,4E)- [ACD/Index Name]
1,5-bis(3-bromo-4-hydroxyphenyl)penta-1,4-dien-3-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL262611/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 268.8±30.1 °C
Index of Refraction: 1.731
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2790.31
ACD/KOC (pH 5.5): 10172.58
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2010.33
ACD/KOC (pH 7.4): 7329.01
Polar Surface Area: 58 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement