ChemSpider 2D Image | Flubromazolam | C17H12BrFN4

Flubromazolam

  • Molecular FormulaC17H12BrFN4
  • Average mass371.206 Da
  • Monoisotopic mass370.022919 Da
  • ChemSpider ID10684757

More details:






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

1BF1HN5GWD
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-bromo-6-(2-fluorophenyl)-1-methyl- [ACD/Index Name]
612526-40-6 [RN]
8-Brom-6-(2-fluorphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Bromo-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Bromo-6-(2-fluorophényl)-1-méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
Flubromazolam [Wiki]
UNII:1BF1HN5GWD
8-bromo-1-methyl-6-(2'-fluorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine
8-bromo-6-(2-fluorophenyl)-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 520.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.6±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.73
ACD/KOC (pH 5.5): 545.19
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.80
ACD/KOC (pH 7.4): 546.01
Polar Surface Area: 43 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 231.7±7.0 cm3

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