7-Bromo-5-(2-Fluorophenyl)-1-Methyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C16H12BrFN2O
IUPAC Name 7-bromo-5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-one
Molecular Mass 347.182 g·mol−1
Heat of Formation -44.6 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 337.21 Å 3
Surface Area 295.75 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 7-bromo-5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-one
CAS Number(s)
  • 86890-79-1
InChIKey KMADJPBGARDOAO-UHFFFAOYSA-N
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Elements C F H O N Br