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ChemSpider 2D Image | 5-Nitro-2-[(1E)-1-phenyl-1-propen-2-yl]-1H-benzimidazole | C16H13N3O2

5-Nitro-2-[(1E)-1-phenyl-1-propen-2-yl]-1H-benzimidazole

  • Molecular FormulaC16H13N3O2
  • Average mass279.293 Da
  • Monoisotopic mass279.100769 Da
  • ChemSpider ID21538640
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Benzimidazole, 2-[(E)-1-methyl-2-phenylethenyl]-5-nitro- [ACD/Index Name]
5-Nitro-2-[(1E)-1-phenyl-1-propen-2-yl]-1H-benzimidazol [German] [ACD/IUPAC Name]
5-Nitro-2-[(1E)-1-phenyl-1-propen-2-yl]-1H-benzimidazole [ACD/IUPAC Name]
5-Nitro-2-[(1E)-1-phényl-1-propén-2-yl]-1H-benzimidazole [French] [ACD/IUPAC Name]
2-[(E)-1-methyl-2-phenylvinyl]-5-nitro-1H-benzimidazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 505.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.2±30.7 °C
Index of Refraction: 1.730
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 588.86
ACD/KOC (pH 5.5): 3318.12
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 603.33
ACD/KOC (pH 7.4): 3399.66
Polar Surface Area: 75 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 210.0±3.0 cm3

Click to predict properties on the Chemicalize site






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