2-{[3-(4-Azidophenyl)Propyl]Amino}-5-Nitrobenzoic Acid

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Formula C16H15N5O4
IUPAC Name 2-[3-(4-azidophenyl)propylamino]-5-nitro-benzoic acid
Molecular Mass 341.321 g·mol−1
Heat of Formation 42.0 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 390.86 Å 3
Surface Area 355.76 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-(4-azidophenyl)propylamino]-5-nitrobenzoic acid
  • 5-nitro-2-(n-3-(4-azidophenyl)propylamino)benzoic acid
  • aznppb
  • benzoic acid, 2-((3-(4-azidophenyl)propyl)amino)-5-nitro-
CAS Number(s)
  • 135409-59-5
InChIKey FHBKKMBZNNWBIC-UHFFFAOYSA-N
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