ChemSpider 2D Image | 1,5-bis(3-bromo-2-thienyl)-3-(3-nitrophenyl)pentane-1,5-dione | C19H13Br2NO4S2

1,5-bis(3-bromo-2-thienyl)-3-(3-nitrophenyl)pentane-1,5-dione

  • Molecular FormulaC19H13Br2NO4S2
  • Average mass543.249 Da
  • Monoisotopic mass540.865234 Da
  • ChemSpider ID21127154

More details:

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

1,5-Bis(3-brom-2-thienyl)-3-(3-nitrophenyl)-1,5-pentandion [German] [ACD/IUPAC Name]
1,5-Bis(3-bromo-2-thiényl)-3-(3-nitrophényl)-1,5-pentanedione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 664.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.5±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5619.75
ACD/KOC (pH 5.5): 16812.77
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5619.75
ACD/KOC (pH 7.4): 16812.77
Polar Surface Area: 136 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 314.5±3.0 cm3

Click to predict properties on the Chemicalize site


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