ChemSpider 2D Image | 2-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-difluoro-1H-benzimidazole | C12H9F2N5O2S

2-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-difluoro-1H-benzimidazole

  • Molecular FormulaC12H9F2N5O2S
  • Average mass325.294 Da
  • Monoisotopic mass325.044495 Da
  • ChemSpider ID30216276

More details:






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

1H-Benzimidazole, 2-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)thio]-5,6-difluoro- [ACD/Index Name]
2-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-difluor-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-difluoro-1H-benzimidazole [ACD/IUPAC Name]
2-[(1,2-Diméthyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-difluoro-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 603.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±34.3 °C
Index of Refraction: 1.738
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.52
ACD/KOC (pH 5.5): 331.79
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 135.73
Polar Surface Area: 118 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 189.1±7.0 cm3

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