ChemSpider 2D Image | MFCD00673299 | C15H6D5N3O3

MFCD00673299

  • Molecular FormulaC15H6D5N3O3
  • Average mass286.297 Da
  • Monoisotopic mass286.111420 Da
  • ChemSpider ID24022521

  • Non-standard isotope - Non-standard isotope

More details:

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

136765-45-2 [RN]
200-835-2 [EINECS]
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-(phenyl-d5)- [ACD/Index Name]
7-Nitro-5-(2H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Nitro-5-(2H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Nitro-5-(2H5)phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
MFCD00673299
Nitrazepam-D5
7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Nitrazepam-D5 0.1 mg/ml in Acetonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±28.7 °C
Index of Refraction: 1.690
Molar Refractivity: 76.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.42
ACD/KOC (pH 5.5): 301.42
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.44
ACD/KOC (pH 7.4): 301.71
Polar Surface Area: 87 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 200.6±7.0 cm3

Click to predict properties on the Chemicalize site


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