ChemSpider 2D Image | 7-Bromo-5-(2-fluorophenyl)-3-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12BrFN2O

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

  • Molecular FormulaC16H12BrFN2O
  • Average mass347.182 Da
  • Monoisotopic mass346.011688 Da
  • ChemSpider ID57381614

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-fluorophenyl)-1,3-dihydro-3-methyl- [ACD/Index Name]
7-Brom-5-(2-fluorphenyl)-3-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Bromo-5-(2-fluorophenyl)-3-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Bromo-5-(2-fluorophényl)-3-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7-BROMO-5-(2-FLUORO-PHENYL)-3-METHYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE
7-Bromo-5-(2-fluorophenyl)-3-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one
872874-11-8 [RN]
MFCD28404969

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

Density: 1.5±0.1 g/cm3
Boiling Point: 466.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.8±28.7 °C
Index of Refraction: 1.654
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.62
ACD/KOC (pH 5.5): 1406.58
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.77
ACD/KOC (pH 7.4): 1407.79
Polar Surface Area: 41 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 225.9±7.0 cm3

Click to predict properties on the Chemicalize site


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