ChemSpider 2D Image | 3-Hydroxynimetazepam | C16H13N3O4

3-Hydroxynimetazepam

  • Molecular FormulaC16H13N3O4
  • Average mass311.292 Da
  • Monoisotopic mass311.090607 Da
  • ChemSpider ID64854354

More details:






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

2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-1-methyl-7-nitro-5-phenyl- [ACD/Index Name]
3-Hydroxy-1-methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-1-methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
3-Hydroxy-1-méthyl-7-nitro-5-phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
3-Hydroxynimetazepam
40762-03-6 [RN]

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

DFJ6M9363O [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.38
ACD/KOC (pH 5.5): 131.07
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.38
ACD/KOC (pH 7.4): 131.08
Polar Surface Area: 99 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 219.2±7.0 cm3

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