ChemSpider 2D Image | 7-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H13FN2O

7-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H13FN2O
  • Average mass268.286 Da
  • Monoisotopic mass268.101196 Da
  • ChemSpider ID23222109

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-fluoro-1,3-dihydro-1-methyl-5-phenyl- [ACD/Index Name]
7-Fluor-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Fluoro-1-méthyl-5-phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7-Fluoro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Ro-05-4865

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.3±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.76
ACD/KOC (pH 5.5): 384.46
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.00
ACD/KOC (pH 7.4): 387.55
Polar Surface Area: 33 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 219.5±7.0 cm3

Click to predict properties on the Chemicalize site


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