ChemSpider 2D Image | 2-{(1S)-1-[(3'-Nitro-2-biphenylyl)oxy]ethyl}-4,5-dihydro-1H-imidazole | C17H17N3O3

2-{(1S)-1-[(3'-Nitro-2-biphenylyl)oxy]ethyl}-4,5-dihydro-1H-imidazole

  • Molecular FormulaC17H17N3O3
  • Average mass311.335 Da
  • Monoisotopic mass311.126984 Da
  • ChemSpider ID23288042

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Imidazole, 4,5-dihydro-2-[(1S)-1-[(3'-nitro[1,1'-biphenyl]-2-yl)oxy]ethyl]- [ACD/Index Name]
2-{(1S)-1-[(3'-Nitro-2-biphenylyl)oxy]ethyl}-4,5-dihydro-1H-imidazol [German] [ACD/IUPAC Name]
2-{(1S)-1-[(3'-Nitro-2-biphenylyl)oxy]ethyl}-4,5-dihydro-1H-imidazole [ACD/IUPAC Name]
2-{(1S)-1-[(3'-Nitro-2-biphénylyl)oxy]éthyl}-4,5-dihydro-1H-imidazole [French] [ACD/IUPAC Name]
2-{(1S)-1-[(3'-nitrobiphenyl-2-yl)oxy]ethyl}-4,5-dihydro-1H-imidazole
2-{(1S)-1-[(3'-nitro-1,1'-biphenyl-2-yl)oxy]ethyl}-4,5-dihydro-1H-imidazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397753/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 512.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 263.5±27.3 °C
Index of Refraction: 1.634
Molar Refractivity: 86.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 16.76
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 21.91
Polar Surface Area: 79 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 241.1±7.0 cm3

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