10-(4-Chlorobutyl)-1,3,4-Trifluoro-2-Nitrophenothiazine

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Properties Simple | Detailed

Formula C16H12ClF3N2O2S
IUPAC Name 10-(4-chlorobutyl)-1,3,4-trifluoro-2-nitro-phenothiazine
Molecular Mass 388.792 g·mol−1
Heat of Formation -426.0 ± 16.7 kJ·mol−1
Dipole Moment 8.69 ± 1.08 D
Volume 384.61 Å 3
Surface Area 311.69 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • 10-(4-chlorobutyl)-1,3,4-trifluoro-2-(hydroxy(oxido)amino)-10h-phenothiazine
  • 10-(4-chlorobutyl)-1,3,4-trifluoro-n-hydroxy-2-phenothiazinamine oxide
  • 10-(4-chlorobutyl)-1,3,4-trifluoro-n-hydroxy-phenothiazin-2-amine oxide
  • 10-(4-chlorobutyl)-1,3,4-trifluoro-n-hydroxyphenothiazin-2-amine oxide
  • 10h-phenothiazine, 10-(4-chlorobutyl)-1,3,4-trifluoro- 2-nitro-
  • n-[10-(4-chlorobutyl)-1,3,4-trifluoro-2-phenothiazinyl]-n-oxidohydroxylamine
  • n-[10-(4-chlorobutyl)-1,3,4-trifluoro-phenothiazin-2-yl]-n-oxido-hydroxylamine
  • n-[10-(4-chlorobutyl)-1,3,4-trifluorophenothiazin-2-yl]-n-oxidohydroxylamine
InChIKey XBXKXDVDDODFII-UHFFFAOYSA-N
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Elements C F H Cl O N S