Fluoroethylflumazenil

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Properties Simple | Detailed

Formula C16H16F2N3O3
IUPAC Name ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepin-2-ium-3a-ide-3-carboxylate
Molecular Mass 336.313 g·mol−1
Heat of Formation -636.0 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 368.74 Å 3
Surface Area 328.44 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 8-fluoro-5-(2-fluoroethyl)-6-keto-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • 8-fluoro-5-(2-fluoroethyl)-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
InChIKey NRBIGDVWCXXFLI-UHFFFAOYSA-N
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