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

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

  • Molecular FormulaC8H10IN3O3
  • Average mass323.088 Da
  • Monoisotopic mass322.976685 Da
  • ChemSpider ID23160662

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S,4E)-5-Iod-1-(2-nitro-1H-imidazol-1-yl)-4-penten-2-ol [German] [ACD/IUPAC Name]
(2S,4E)-5-Iodo-1-(2-nitro-1H-imidazol-1-yl)-4-penten-2-ol [ACD/IUPAC Name]
(2S,4E)-5-Iodo-1-(2-nitro-1H-imidazol-1-yl)-4-pentén-2-ol [French] [ACD/IUPAC Name]
(2S,4E)-5-iodo-1-(2-nitro-1H-imidazol-1-yl)pent-4-en-2-ol
1H-Imidazole-1-ethanol, α-[(2E)-3-iodo-2-propen-1-yl]-2-nitro-, (αS)- [ACD/Index Name]
133933-39-8 [RN]
5-(2-nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene
5-Iodo-1-(2-nitro-imidazol-1-yl)-pent-4-en-2-ol

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

Density: 1.9±0.1 g/cm3
Boiling Point: 468.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.3±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 102.69
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 102.70
Polar Surface Area: 84 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 168.7±7.0 cm3

Click to predict properties on the Chemicalize site


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