ChemSpider 2D Image | MFCD08063466 | C6H5D4N3O3

MFCD08063466

  • Molecular FormulaC6H5D4N3O3
  • Average mass175.179 Da
  • Monoisotopic mass175.089493 Da
  • ChemSpider ID34451929
  • Non-standard isotope - Non-standard isotope


More details:






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

1261392-47-5 [RN]
1H-Imidazole-1-ethan-α,α,β,β-d4-ol, 2-methyl-5-nitro- [ACD/Index Name]
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)(2H4)ethanol [German] [ACD/IUPAC Name]
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)(2H4)ethanol [ACD/IUPAC Name]
2-(2-Méthyl-5-nitro-1H-imidazol-1-yl)(2H4)éthanol [French] [ACD/IUPAC Name]
2-Methyl-5-nitroimidazole-1-ethanol-d4
METRONIDAZOLE-(ETHYLENE-D4)
Metronidazole-d4
MFCD08063466
1,1,2,2-tetradeuterio-2-(2-methyl-5-nitroimidazol-1-yl)ethanol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 405.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 199.0±23.2 °C
Index of Refraction: 1.612
Molar Refractivity: 41.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.34
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.38
Polar Surface Area: 84 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 117.9±7.0 cm3

Click to predict properties on the Chemicalize site






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