7-Chloro-2,3-Dihydro-1-(2,2,2-Trifluoroethyl)-5-(O-Fluorophenyl)-1H-1,4-Benzodiazepine

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Formula C17H13ClF4N2
IUPAC Name (1r)-7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine
Molecular Mass 356.745 g·mol−1
Heat of Formation -575.7 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 379.3 Å 3
Surface Area 315.53 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,4-benzodiazepine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-(2,2,2-trifluoroethyl)-
  • 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine
  • 7-chloro-5-(o-fluorophenyl)-2,3-dihydro-1-(2,2,2-trifluoroethyl)-1h-1,4-benzodiazepine
  • d04191
  • fletazepam (usan)
  • sch 15698
CAS Number(s)
  • 34482-99-0
InChIKey CIZCSUNUBQXVFP-UHFFFAOYSA-N
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Elements H N F C Cl