ChemSpider 2D Image | (6R)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine | C14H12F3N3O5

(6R)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

  • Molecular FormulaC14H12F3N3O5
  • Average mass359.257 Da
  • Monoisotopic mass359.072906 Da
  • ChemSpider ID24714460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-2-Nitro-6-{[4-(trifluormethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin [German] [ACD/IUPAC Name]
(6R)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine [ACD/IUPAC Name]
(6R)-2-Nitro-6-{[4-(trifluorométhoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine [French] [ACD/IUPAC Name]
5H-Imidazo[2,1-b][1,3]oxazine, 6,7-dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-, (6R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512244/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 462.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.4±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 76.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.69
ACD/KOC (pH 5.5): 431.47
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.69
ACD/KOC (pH 7.4): 431.47
Polar Surface Area: 91 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 226.8±7.0 cm3

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