ChemSpider 2D Image | 2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazole-5-carbaldehyde | C15H16ClN3O3

2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazole-5-carbaldehyde

  • Molecular FormulaC15H16ClN3O3
  • Average mass321.759 Da
  • Monoisotopic mass321.088013 Da
  • ChemSpider ID14444923

More details:

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

1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-[(4-nitrophenyl)methyl]- [ACD/Index Name]
2-Butyl-4-chlor-1-(4-nitrobenzyl)-1H-imidazol-5-carbaldehyd [German] [ACD/IUPAC Name]
2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazole-5-carbaldehyde [ACD/IUPAC Name]
2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
114773-20-5 [RN]
2-butyl-5-chloro-3-(4-nitro-benzyl)-3h-imidazole-4-carbaldehyde
NIC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 508.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.1±27.3 °C
Index of Refraction: 1.610
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.12
ACD/KOC (pH 5.5): 1477.87
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.13
ACD/KOC (pH 7.4): 1477.96
Polar Surface Area: 81 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 243.7±7.0 cm3

Click to predict properties on the Chemicalize site


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