ChemSpider 2D Image | 6-(2-Fluorophenyl)-1-methyl-8-nitro(3a,4-~13~C_2_,5-~15~N)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | C1513C2H12FN415NO2

6-(2-Fluorophenyl)-1-methyl-8-nitro(3a,4-13C2,5-15N)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

  • Molecular FormulaC1513C2H12FN415NO2
  • Average mass340.287 Da
  • Monoisotopic mass340.101257 Da
  • ChemSpider ID114952014
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-3a,4-13C2-5-15N, 6-(2-fluorophenyl)-1-methyl-8-nitro- [ACD/Index Name]
6-(2-Fluorophenyl)-1-methyl-8-nitro(3a,4-13C2,5-15N)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
6-(2-Fluorophényl)-1-méthyl-8-nitro(3a,4-13C2,5-15N)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
6-(2-Fluorphenyl)-1-methyl-8-nitro(3a,4-13C2,5-15N)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 89.2±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 224.5±7.0 cm3

Click to predict properties on the Chemicalize site






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