3-Fluoropropyl 8-Fluoro-5-Methyl-6-Oxo-5,6-Dihydro-4H-Imidazo[1,5-A][1,4]Benzodiazepine-3-Carboxylate

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Properties Simple | Detailed

Formula C16H15F2N3O3
IUPAC Name 3-fluoropropyl 8-fluoro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Mass 335.305 g·mol−1
Heat of Formation -636.7 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 367.84 Å 3
Surface Area 330.82 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-fluoropropyl-8-fluoro-5,6-dihydro-5-methyl-6-oxo-4h-imidazol(1,5-a)(1,4)benzodiazepine-3-carboxylic acid
  • 3-fp-ro-15-3890
  • 4h-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, 3-fluoropropyl ester
  • 8-fluoro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3-fluoropropyl ester
  • 8-fluoro-6-keto-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3-fluoropropyl ester
  • n-(3'-fluoropropyl)-ro 15-3890
CAS Number(s)
  • 133368-73-7
InChIKey IDGRIDPWFKLMGA-UHFFFAOYSA-N
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