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

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Properties Simple | Detailed

Formula C16H12FIN2O
IUPAC Name 5-(2-fluorophenyl)-7-iodo-1-methyl-3h-1,4-benzodiazepin-2-one
Molecular Mass 394.182 g·mol−1
Heat of Formation 8.0 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 347.01 Å 3
Surface Area 303.3 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-fluorophenyl)-7-iodo-1-methyl-3h-1,4-benzodiazepin-2-one
  • 7-iodo-1,3-dihydro-1-methyl-5(2'-fluorophenyl) -2h-1,4-benzodiazepin-2-one
  • ro 7-9957
CAS Number(s)
  • 34932-78-0
InChIKey WKDHPXLDPOYJMH-UHFFFAOYSA-N
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