ChemSpider 2D Image | (3R)-5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12ClN3O3

(3R)-5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H12ClN3O3
  • Average mass329.738 Da
  • Monoisotopic mass329.056732 Da
  • ChemSpider ID23222116
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
(3R)-5-(2-Chlorophényl)-3-méthyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
(3R)-5-(2-Chlorphenyl)-3-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (3R)- [ACD/Index Name]
(R)-5-(2-Chloro-phenyl)-3-methyl-7-nitro-1,3-dihydro-benzo[e][1,4]diazepin-2-one
10.1021/jm960536o
2H-1,4-BENZODIAZEPIN-2-ONE, 5-(2-CHLOROPHENYL)-1,3-DIHYDRO-3-METHYL-7-NITRO-, (R)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 522.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.86
ACD/KOC (pH 5.5): 828.85
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.86
ACD/KOC (pH 7.4): 828.86
Polar Surface Area: 87 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 225.1±7.0 cm3

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