ChemSpider 2D Image | 3,4',5-Tribromo-4,6'-dioxo-2',5',6',7',8',9'-hexahydro-3'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin[1]ium] | C18H13Br3N3O2

3,4',5-Tribromo-4,6'-dioxo-2',5',6',7',8',9'-hexahydro-3'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin[1]ium]

  • Molecular FormulaC18H13Br3N3O2
  • Average mass543.026 Da
  • Monoisotopic mass539.855225 Da
  • ChemSpider ID10476388

  • Charge - Charge

More details:

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

3,4',5-Tribromo-4,6'-dioxo-2',5',6',7',8',9'-hexahydro-3'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin[1]ium] [ACD/IUPAC Name]
Spiro[cyclohexa-2,5-diene-1,10'(6'H)-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6'-dione, 3,4',5-tribromo-2',3',5',7',8',9'-hexahydro-, conjugate monoacid [ACD/Index Name]
14-bromodiscorhabdin C

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

Density:
Boiling Point: 762.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 21.88
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 13.80
ACD/KOC (pH 7.4): 94.43
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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