N-(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C9H8N4O5
IUPAC Name (2s)-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
Molecular Mass 252.184 g·mol−1
Heat of Formation -89.0 ± 16.7 kJ·mol−1
Dipole Moment 9.67 ± 1.08 D
Volume 261.85 Å 3
Surface Area 247.29 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -2.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(7-nitrobenzofurazan-4-yl)amino]propionic acid
  • 4-(alpha-n-l-alanine)-7-nitrobenz-2-oxa-1,3-diazole
  • l-alanine, n-(7-nitro-4-benzofurazanyl)-
  • nitrobenzoxadiazolealanine
InChIKey KWAIYUDRTUOOPG-BYPYZUCNSA-N
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