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

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Properties Simple | Detailed

Formula C15H10FN3O3
IUPAC Name 5-(2-fluorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular Mass 299.257 g·mol−1
Heat of Formation -83.3 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 321.65 Å 3
Surface Area 285.85 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-7-nitro-
  • n-desmethylflunitrazepam
InChIKey KNGIGRDYBQPXKQ-UHFFFAOYSA-N
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