ChemSpider 2D Image | 7-Chloro-5-(2-fluorophenyl)-1-(~2~H_3_)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H9D3ClFN2O

7-Chloro-5-(2-fluorophenyl)-1-(2H3)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H9D3ClFN2O
  • Average mass305.749 Da
  • Monoisotopic mass305.081055 Da
  • ChemSpider ID58794459

  • 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, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(methyl-d3)- [ACD/Index Name]
7-Chlor-5-(2-fluorphenyl)-1-(2H3)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Chloro-5-(2-fluorophenyl)-1-(2H3)methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Chloro-5-(2-fluorophényl)-1-(2H3)méthyl-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: 1.3±0.1 g/cm3
Boiling Point: 498.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.1±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 80.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.47
ACD/KOC (pH 5.5): 868.16
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.49
ACD/KOC (pH 7.4): 868.37
Polar Surface Area: 33 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 228.8±7.0 cm3

Click to predict properties on the Chemicalize site


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