ChemSpider 2D Image | (3R)-7-Chloro-5-[2-chloro(~2~H_4_)phenyl]-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C15H6D4Cl2N2O2

(3R)-7-Chloro-5-[2-chloro(2H4)phenyl]-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC15H6D4Cl2N2O2
  • Average mass325.183 Da
  • Monoisotopic mass324.037048 Da
  • ChemSpider ID128919046

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-7-Chlor-5-[2-chlor(2H4)phenyl]-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
(3R)-7-Chloro-5-[2-chloro(2H4)phenyl]-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
(3R)-7-Chloro-5-[2-chloro(2H4)phényl]-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(6-chlorophenyl-2,3,4,5-d4)-1,3-dihydro-3-hydroxy-, (3R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.7±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 81.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.02
ACD/KOC (pH 5.5): 539.42
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.00
ACD/KOC (pH 7.4): 539.26
Polar Surface Area: 62 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 211.2±7.0 cm3

Click to predict properties on the Chemicalize site


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