4-(2,4-Bis-(3-Nitrobenzoylamino)Phenoxy)Phthalic Acid

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Properties Simple | Detailed

Formula C28H20N4O11
IUPAC Name 5-[2,4-bis[(3-nitrobenzoyl)amino]cyclohexa-1,5-dien-1-yl]oxy-2-carboxy-benzoate
Molecular Mass 588.479 g·mol−1
Heat of Formation -599.8 ± 16.7 kJ·mol−1
Dipole Moment 11.83 ± 1.08 D
Volume 606.61 Å 3
Surface Area 476.85 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2,4-bis[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid
  • 4-[2,4-bis[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid
  • 4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
InChIKey VFYAZSTYKPFSFL-UHFFFAOYSA-N
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