ChemSpider 2D Image | (2E)-1-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidine-4,5-diol | C9H10ClN5O4

(2E)-1-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidine-4,5-diol

  • Molecular FormulaC9H10ClN5O4
  • Average mass287.660 Da
  • Monoisotopic mass287.042145 Da
  • ChemSpider ID21249889

More details:

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

(2E)-1-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidine-4,5-diol
1-[(6-Chlor-3-pyridinyl)methyl]-2-(nitroamino)-4,5-dihydro-1H-imidazol-4,5-diol [German] [ACD/IUPAC Name]
1-[(6-Chloro-3-pyridinyl)methyl]-2-(nitroamino)-4,5-dihydro-1H-imidazole-4,5-diol [ACD/IUPAC Name]
1-[(6-Chloro-3-pyridinyl)méthyl]-2-(nitroamino)-4,5-dihydro-1H-imidazole-4,5-diol [French] [ACD/IUPAC Name]
1115248-03-7 [RN]
1H-Imidazole-4,5-diol, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 529.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 274.0±32.9 °C
Index of Refraction: 1.765
Molar Refractivity: 64.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.15
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 86.1±7.0 dyne/cm
Molar Volume: 154.7±7.0 cm3

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