3-(4-Amino-5-Chloro-6-Hydroxy-1(2H)-Pyridazinyl)-1,2-Benzoquinone

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Properties Simple | Detailed

Formula C10H8ClN3O3++
IUPAC Name 3-(4-amino-5-chloro-6-hydroxy-pyridazine-1,2-diium-1-yl)-1,2-benzoquinone
Molecular Mass 253.642 g·mol−1
Heat of Formation -51.0 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 257.91 Å 3
Surface Area 241.75 Å 2
HOMO Energy -7.75 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 3(2h)-pyridazinone, 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-
  • 3-(4-amino-5-chloro-6-hydroxy-2h-pyridazin-1-yl)-1,2-benzoquinone
  • 3-(4-amino-5-chloro-6-hydroxy-2h-pyridazin-1-yl)-o-benzoquinone
  • 3-(4-amino-5-chloro-6-hydroxy-2h-pyridazin-1-yl)cyclohexa-3,5-diene-1,2-dione
  • 5-amino-4-chloro-(2,3-dihydroxy-1-phenyl)-3(2h)-pyridazinone
  • 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2h)-pyridazinone
  • 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2h)-one
CAS Number(s)
  • 50512-54-4
InChIKey FEJSPYHSYAVCGK-UHFFFAOYSA-N
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Elements H C N O Cl