ChemSpider 2D Image | 5-Iodo-1-(2-nitro-1H-imidazol-4-yl)-4-penten-2-ol | C8H10IN3O3

5-Iodo-1-(2-nitro-1H-imidazol-4-yl)-4-penten-2-ol

  • Molecular FormulaC8H10IN3O3
  • Average mass323.088 Da
  • Monoisotopic mass322.976685 Da
  • ChemSpider ID28670421

More details:

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

1H-Imidazole-4-ethanol, α-(3-iodo-2-propen-1-yl)-2-nitro- [ACD/Index Name]
5-Iod-1-(2-nitro-1H-imidazol-4-yl)-4-penten-2-ol [German] [ACD/IUPAC Name]
5-Iodo-1-(2-nitro-1H-imidazol-4-yl)-4-penten-2-ol [ACD/IUPAC Name]
5-Iodo-1-(2-nitro-1H-imidazol-4-yl)-4-pentén-2-ol [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 518.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.2±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 63.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 88.01
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 86.46
Polar Surface Area: 95 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 165.5±3.0 cm3

Click to predict properties on the Chemicalize site


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