1-{[(8-Nitro-1-Pyrenyl)Amino]Oxy}Ethanone

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Properties Simple | Detailed

Formula C18H12N2O4+
IUPAC Name [(8-nitropyren-1-yl)amino] acetate
Molecular Mass 320.299 g·mol−1
Heat of Formation 8.2 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 346.48 Å 3
Surface Area 309.48 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • [(8-nitropyren-1-yl)amino] ethanoate
  • acetic acid [(8-nitro-1-pyrenyl)amino] ester
  • acetic acid [(8-nitropyren-1-yl)amino] ester
CAS Number(s)
  • 104544-40-3
InChIKey FLECDYBBEJOCLB-UHFFFAOYSA-N
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