ChemSpider 2D Image | 7-Chloro-5-(2,6-difluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H11ClF2N2O

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

  • Molecular FormulaC16H11ClF2N2O
  • Average mass320.721 Da
  • Monoisotopic mass320.052795 Da
  • ChemSpider ID23222150

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1-methyl- [ACD/Index Name]
7-Chlor-5-(2,6-difluorphenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Chloro-5-(2,6-difluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Chloro-5-(2,6-difluorophényl)-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
10.1021/jm960536o
39080-67-6 [RN]
7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
7-chloro-5-(2,6-difluorophenyl)-1-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one
7-Chloro-5-(2,6-difluoro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
7-Chloro-5-(2,6-difluorophenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 492.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.9±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.89
ACD/KOC (pH 5.5): 1108.63
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.89
ACD/KOC (pH 7.4): 1108.63
Polar Surface Area: 33 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 231.7±7.0 cm3

Click to predict properties on the Chemicalize site


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