ChemSpider 2D Image | 6-Chloro-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12ClFN2O

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

  • Molecular FormulaC16H12ClFN2O
  • Average mass302.731 Da
  • Monoisotopic mass302.062225 Da
  • ChemSpider ID23234605

More details:

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

2H-1,4-Benzodiazepin-2-one, 6-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-methyl- [ACD/Index Name]
6-Chlor-5-(2-fluorphenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
6-Chloro-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
6-Chloro-5-(2-fluorophényl)-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
6-Chloro-5-(2-fluoro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445131/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.0±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: 2.24
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.59
ACD/KOC (pH 5.5): 862.05
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.61
ACD/KOC (pH 7.4): 862.19
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

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