9-Chloro-2-(2-Furyl)[1,2,4]Triazolo[1,5-C]Quinazolin-5(3H)-One

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Properties Simple | Detailed

Formula C13H7ClN4O2
IUPAC Name 9-chloro-2-furan-2-yl-3h-[1,2,4]triazolo[1,5-c]quinazolin-5-one
Molecular Mass 286.673 g·mol−1
Heat of Formation 199.2 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 298.76 Å 3
Surface Area 282.99 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry Cs
Synonyms
  • 9-chloro-2-(2-furyl)(1,2,4)triazolo(1,5-c)quinazolin-5-(6h)-one
  • 9-chloro-2-(2-furyl)-3h-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • cgs 15696
  • cgs-15696
CAS Number(s)
  • 104615-00-1
InChIKey LTWCVAHQEHEVGR-UHFFFAOYSA-N
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DOI
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Elements H C N O Cl