ChemSpider 2D Image | 3-Amino-9-fluoro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C15H12FN3O

3-Amino-9-fluoro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC15H12FN3O
  • Average mass269.274 Da
  • Monoisotopic mass269.096436 Da
  • ChemSpider ID44208914

More details:

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

2H-1,4-Benzodiazepin-2-one, 3-amino-9-fluoro-1,3-dihydro-5-phenyl- [ACD/Index Name]
3-Amino-9-fluor-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
3-Amino-9-fluoro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
3-Amino-9-fluoro-5-phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
1584714-99-7 [RN]
3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
3-amino-9-fluoro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one
CS-14946
MFCD29472336

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 447.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.6±28.7 °C
    Index of Refraction: 1.669
    Molar Refractivity: 72.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.27
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.37
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.04
    ACD/KOC (pH 7.4): 108.49
    Polar Surface Area: 67 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 51.3±7.0 dyne/cm
    Molar Volume: 194.9±7.0 cm3

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