ChemSpider 2D Image | 1-(3,5-Diiodobenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol | C16H15I2NO2

1-(3,5-Diiodobenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol

  • Molecular FormulaC16H15I2NO2
  • Average mass507.105 Da
  • Monoisotopic mass506.919189 Da
  • ChemSpider ID8227505

More details:






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

1-(3,5-Diiodbenzyl)-1,2,3,4-tetrahydro-6,7-isochinolindiol [German] [ACD/IUPAC Name]
1-(3,5-Diiodobenzyl)-1,2,3,4-tétrahydro-6,7-isoquinoléinediol [French] [ACD/IUPAC Name]
1-(3,5-Diiodobenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol [ACD/IUPAC Name]
1-(3,5-diiodobenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
6,7-dihydroxy-1-(3,5-diiodobenzyl)-1,2,3,4-tetrahydroisoquinoline
6,7-Isoquinolinediol, 1-[(3,5-diiodophenyl)methyl]-1,2,3,4-tetrahydro- [ACD/Index Name]
1-(3,5-Diiodo-benzyl)-1,2,3,4-tetrahydro-isoquinoline-6,7-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 592.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 312.0±30.1 °C
Index of Refraction: 1.731
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 26.93
ACD/KOC (pH 7.4): 148.57
Polar Surface Area: 52 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 251.6±3.0 cm3

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