2-{[5-(5-Nitro-2-Furyl)-1,3,4-Oxadiazol-2-Yl]Thio}Acetic Acid

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Properties Simple | Detailed

Formula C8H5N3O6S
IUPAC Name 2-[[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Molecular Mass 271.207 g·mol−1
Heat of Formation -258.6 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 267.89 Å 3
Surface Area 262.33 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • lit
  • {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
  • {[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
InChIKey ITBNJCVIFHSKRL-UHFFFAOYSA-N
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