ChemSpider 2D Image | 1-Isopropyl-6-methoxy-4-nitro-1H-benzimidazole | C11H13N3O3

1-Isopropyl-6-methoxy-4-nitro-1H-benzimidazole

  • Molecular FormulaC11H13N3O3
  • Average mass235.239 Da
  • Monoisotopic mass235.095688 Da
  • ChemSpider ID24740278

More details:

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

1H-Benzimidazole, 6-methoxy-1-(1-methylethyl)-4-nitro- [ACD/Index Name]
1-Isopropyl-6-methoxy-4-nitro-1H-benzimidazol [German] [ACD/IUPAC Name]
1-Isopropyl-6-methoxy-4-nitro-1H-benzimidazole [ACD/IUPAC Name]
1-Isopropyl-6-méthoxy-4-nitro-1H-benzimidazole [French] [ACD/IUPAC Name]
1173202-48-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.7±29.6 °C
Index of Refraction: 1.611
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.37
ACD/KOC (pH 5.5): 320.90
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.60
ACD/KOC (pH 7.4): 324.26
Polar Surface Area: 73 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 177.5±7.0 cm3

Click to predict properties on the Chemicalize site


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