ChemSpider 2D Image | 4,5,6,7-Tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole | C12H10Br4N2O3

4,5,6,7-Tetrabromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-benzimidazole

  • Molecular FormulaC12H10Br4N2O3
  • Average mass549.835 Da
  • Monoisotopic mass545.742432 Da
  • ChemSpider ID35035890
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1H-Benzimidazole, 4,5,6,7-tetrabromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)- [ACD/Index Name]
4,5,6,7-Tetrabrom-1-(2-desoxy-β-D-erythro-pentofuranosyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
4,5,6,7-Tetrabromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-benzimidazole [ACD/IUPAC Name]
4,5,6,7-Tétrabromo-1-(2-désoxy-β-D-érythro-pentofuranosyl)-1H-benzimidazole [French] [ACD/IUPAC Name]
EXX

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

Density: 2.7±0.1 g/cm3
Boiling Point: 669.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.5±34.3 °C
Index of Refraction: 1.825
Molar Refractivity: 90.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.31
ACD/KOC (pH 5.5): 2268.53
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.31
ACD/KOC (pH 7.4): 2268.54
Polar Surface Area: 68 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 207.1±7.0 cm3

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