10-(4-Chlorobutyl)-3-Nitrophenothiazine

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Properties Simple | Detailed

Formula C16H15ClN2O2S
IUPAC Name 10-(4-chlorobutyl)-3-nitro-phenothiazine
Molecular Mass 334.821 g·mol−1
Heat of Formation 105.9 ± 16.7 kJ·mol−1
Dipole Moment 9.71 ± 1.08 D
Volume 370.41 Å 3
Surface Area 325.37 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 10-(4-chlorobutyl)-3-(hydroxy(oxido)amino)-10h-phenothiazine
  • 10-(4-chlorobutyl)-n-hydroxy-3-phenothiazinamine oxide
  • 10-(4-chlorobutyl)-n-hydroxy-phenothiazin-3-amine oxide
  • 10-(4-chlorobutyl)-n-hydroxyphenothiazin-3-amine oxide
  • n-[10-(4-chlorobutyl)-3-phenothiazinyl]-n-oxidohydroxylamine
  • n-[10-(4-chlorobutyl)phenothiazin-3-yl]-n-oxido-hydroxylamine
  • n-[10-(4-chlorobutyl)phenothiazin-3-yl]-n-oxidohydroxylamine
InChIKey SQVNSHSOPIAHBP-UHFFFAOYSA-N
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