3-((4,6-Diphenoxy-1,3,5-Triazin-2-Yl)Amino)Benzoic Acid

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Properties Simple | Detailed

Formula C22H16N4O4
IUPAC Name 3-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoic acid
Molecular Mass 400.387 g·mol−1
Heat of Formation -120.6 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 457.25 Å 3
Surface Area 386.55 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[4,6-bis(phenoxy)-1,3,5-triazin-2-yl]amino]benzoic acid
  • 3-[[4,6-bis(phenoxy)-s-triazin-2-yl]amino]benzoic acid
InChIKey CWIGXGFACVQKCI-UHFFFAOYSA-N
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