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

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Properties Simple | Detailed

Formula C17H15ClFN3O
IUPAC Name 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one
Molecular Mass 331.772 g·mol−1
Heat of Formation -89.6 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 372.78 Å 3
Surface Area 322.11 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one
  • 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-1-(2-aminoethyl)-7-chloro-5-(2-fluorophe
  • 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-
  • 2h-1,4-benzodiazepin-2-one, 1-(2-aminoethyl)-7-chloro-5-(o-fluorophenyl)-1,3-dihydro- (8ci)
  • dealkylflurazepam
  • dideethylflurazepam
  • didesethylflurazepam
  • n,n-bisdesethylflurazepam
  • ro 7-1986
CAS Number(s)
  • 17617-59-3
InChIKey MVAUDJDXZPBWOW-UHFFFAOYSA-N
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Elements C F H Cl O N