Clearnal

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Properties Simple | Detailed

Formula C13H6ClN5O2
IUPAC Name 9-chloro-7-(2h-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
Molecular Mass 299.672 g·mol−1
Heat of Formation 275.1 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 300.05 Å 3
Surface Area 278.66 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 5h-(1)benzopyrano(2,3-b)pyridin-5-one, 9-chloro-7-(1h-tetrazol-5-yl)-
  • 9-chloro-5-oxo-7-(1h-tetrazol-5-yl)-5h-(1)benzopyrano(2,3-b)pyridine
  • 9-chloro-7-(1h-tetrazol-5-yl)-5h-(1)benzopyrano(2,3-b)pyridin-5-one
  • 9-chloro-7-(1h-tetrazol-5-yl)-5h-(1)benzopyrano(2,3-b)pyridine-5-one
  • 9-chloro-7-(2h-1,2,3,4-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
  • 9-chloro-7-(2h-tetrazol-5-yl)-5-chromeno[2,3-b]pyridinone
CAS Number(s)
  • 58712-69-9
InChIKey MLCGWPUVZKTVLO-UHFFFAOYSA-N
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Elements H C N O Cl