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

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Properties Simple | Detailed

Formula C28H18N4O11
IUPAC Name 5-[2,4-bis[(3-nitrobenzoyl)amino]cyclohexa-1,5-dien-1-yl]oxy-2-carboxy-benzoate
Molecular Mass 586.463 g·mol−1
Heat of Formation -837.8 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 622.52 Å 3
Surface Area 516.73 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.79 ± 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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