5-(2-Chlorophenyl)-1,3-Dihydro-1-Methyl-7-Nitro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C16H12ClN3O3
IUPAC Name 5-(2-chlorophenyl)-1-methyl-7-nitro-3h-1,4-benzodiazepin-2-one
Molecular Mass 329.738 g·mol−1
Heat of Formation 53.6 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 355.03 Å 3
Surface Area 301.67 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-1-methyl-7-nitro-
  • 5-(2-chlorophenyl)-1-methyl-7-nitro-(1,4)-benzodiazepin-2-one
  • 5-(2-chlorophenyl)-1-methyl-7-nitro-3h-1,4-benzodiazepin-2-one
  • 5-(o-chlorophenyl)-1-methyl-7-nitro-(1,4)-benzodiazepin-2-one
  • clonazepam, methyl
  • clonazepam, methylated
  • id 690
  • id-690
  • ro 05-4082
  • ro 5-4082
CAS Number(s)
  • 5527-71-9
InChIKey AZVBJJDUDXZLTM-UHFFFAOYSA-N
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Elements H C N O Cl