ChemSpider 2D Image | 5-[2-Fluoro(~2~H_4_)phenyl]-1-methyl-7-nitro(6,8,9-~2~H_3_)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H5D7FN3O3

5-[2-Fluoro(2H4)phenyl]-1-methyl-7-nitro(6,8,9-2H3)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H5D7FN3O3
  • Average mass320.326 Da
  • Monoisotopic mass320.130219 Da
  • ChemSpider ID110404768

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1,4-Benzodiazepin-2-one-6,8,9-d3, 5-(6-fluorophenyl-2,3,4,5-d4)-1,3-dihydro-1-methyl-7-nitro- [ACD/Index Name]
5-[2-Fluor(2H4)phenyl]-1-methyl-7-nitro(6,8,9-2H3)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
5-[2-Fluoro(2H4)phenyl]-1-methyl-7-nitro(6,8,9-2H3)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
5-[2-Fluoro(2H4)phényl]-1-méthyl-7-nitro(6,8,9-2H3)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 81.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.47
ACD/KOC (pH 5.5): 302.07
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.47
ACD/KOC (pH 7.4): 302.12
Polar Surface Area: 78 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 224.8±7.0 cm3

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