(3R)-5-(2-Fluorophenyl)-1,3-Dimethyl-7-Nitro-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C17H14FN3O3
IUPAC Name (3r)-5-(2-fluorophenyl)-1,3-dimethyl-7-nitro-3h-1,4-benzodiazepin-2-one
Molecular Mass 327.310 g·mol−1
Heat of Formation -110.3 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 365.43 Å 3
Surface Area 311.8 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-5-(2-fluorophenyl)-1,3-dimethyl-7-nitro-3h-1,4-benzodiazepin-2-one
  • 2h-1,4-benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1,3-dimethyl-7-nitro-, (r)-
  • 3-methylflunitrazepam
  • ro 11-6893
  • ro 11-6896
  • ro-11-6893
CAS Number(s)
  • 66921-17-3
InChIKey VEBJBUWJWNNSAG-SNVBAGLBSA-N
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