ChemSpider 2D Image | 2-[(E)-{[1-(2-Acetoxyethyl)-5-nitro-1H-imidazol-2-yl]methylene}(oxido)-lambda~5~-azanyl]ethyl acetate | C12H16N4O7

2-[(E)-{[1-(2-Acetoxyethyl)-5-nitro-1H-imidazol-2-yl]methylene}(oxido)-λ5-azanyl]ethyl acetate

  • Molecular FormulaC12H16N4O7
  • Average mass328.278 Da
  • Monoisotopic mass328.101898 Da
  • ChemSpider ID32749441

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Imidazole-1-ethanol, 2-[(E)-[[2-(acetyloxy)ethyl]oxidoazanylidene]methyl]-5-nitro-, acetate (ester) [ACD/Index Name]
2-[(E)-{[1-(2-Acetoxyethyl)-5-nitro-1H-imidazol-2-yl]methylen}(oxido)-λ5-azanyl]ethyl-acetat [German] [ACD/IUPAC Name]
2-[(E)-{[1-(2-Acetoxyethyl)-5-nitro-1H-imidazol-2-yl]methylene}(oxido)-λ5-azanyl]ethyl acetate [ACD/IUPAC Name]
Acétate de 2-[(E)-{[1-(2-acétoxyéthyl)-5-nitro-1H-imidazol-2-yl]méthylène}(oxydo)-λ5-azanyl]éthyle [French] [ACD/IUPAC Name]
42021-75-0 [RN]

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

NSC186193 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.0±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 76.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 65.44
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 65.44
Polar Surface Area: 145 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 232.1±7.0 cm3

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