6-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Hexanoic Acid

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Properties Simple | Detailed

Formula C12H14N4O5
IUPAC Name 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid
Molecular Mass 294.263 g·mol−1
Heat of Formation -165.8 ± 16.7 kJ·mol−1
Dipole Moment 10.08 ± 1.08 D
Volume 328.54 Å 3
Surface Area 313.35 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-[(7-nitrobenzofurazan-4-yl)amino]hexanoic acid
  • 7-nitrobenzoxadiazole-6-aminohexanoic acid
  • hexanoic acid, 6-((7-nitro-4-benzofurazanyl)amino)-
  • n(7-nitro-2,1,3-benzoxadiazol-4-yl)-6-aminocaproic acid
  • n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-6-aminohexanoic acid
  • nbd-amha
CAS Number(s)
  • 88235-25-0
InChIKey DJFNQJJTTPMBIL-UHFFFAOYSA-N
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