ChemSpider 2D Image | (1r)-3,5-Dibromo-4-hydroxy-2',3',5',7',8',9'-hexahydro-6'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin]-6'-one | C18H15Br2N3O2

(1r)-3,5-Dibromo-4-hydroxy-2',3',5',7',8',9'-hexahydro-6'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin]-6'-one

  • Molecular FormulaC18H15Br2N3O2
  • Average mass465.139 Da
  • Monoisotopic mass462.953094 Da
  • ChemSpider ID76769349

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r)-3,5-Dibromo-4-hydroxy-2',3',5',7',8',9'-hexahydro-6'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin]-6'-one [ACD/IUPAC Name]
Spiro[cyclohexa-2,5-diene-1,10'(6'H)-pyrrolo[4,3,2-de][1,7]phenanthrolin]-6'-one, 3,5-dibromo-2',3',5',7',8',9'-hexahydro-4-hydroxy- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.868
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.97
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 18.00
Polar Surface Area: 77 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 76.7±7.0 dyne/cm
Molar Volume: 218.9±7.0 cm3

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