ChemSpider 2D Image | 7-Bromo-5-(2,6-difluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H11BrF2N2O

7-Bromo-5-(2,6-difluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H11BrF2N2O
  • Average mass365.172 Da
  • Monoisotopic mass364.002289 Da
  • ChemSpider ID23222122

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2,6-difluorophenyl)-1,3-dihydro-1-methyl- [ACD/Index Name]
7-Brom-5-(2,6-difluorphenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Bromo-5-(2,6-difluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Bromo-5-(2,6-difluorophényl)-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7-Bromo-5-(2,6-difluoro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356900/
Ro-13-3780

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

Density: 1.6±0.1 g/cm3
Boiling Point: 503.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.6±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.92
ACD/KOC (pH 5.5): 1171.14
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.92
ACD/KOC (pH 7.4): 1171.15
Polar Surface Area: 33 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 234.9±7.0 cm3

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