ChemSpider 2D Image | 5,6-Dichloro-2-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]-1H-benzimidazole | C15H12Cl2N6

5,6-Dichloro-2-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]-1H-benzimidazole

  • Molecular FormulaC15H12Cl2N6
  • Average mass347.202 Da
  • Monoisotopic mass346.050049 Da
  • ChemSpider ID29461439

More details:






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

1H-Benzimidazole, 5,6-dichloro-2-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]- [ACD/Index Name]
5,6-Dichlor-2-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]-1H-benzimidazol [German] [ACD/IUPAC Name]
5,6-Dichloro-2-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]-1H-benzimidazole [ACD/IUPAC Name]
5,6-Dichloro-2-[2,5-diméthyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.8±34.3 °C
Index of Refraction: 1.771
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 421.82
ACD/KOC (pH 5.5): 2621.09
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 403.68
ACD/KOC (pH 7.4): 2508.42
Polar Surface Area: 64 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 217.3±7.0 cm3

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