{[2-(1H-Benzotriazol-1-Yl)-2-Phenyl-1,3-Propanediyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C29H25F4N3O6P2
IUPAC Name [[4-[2-(benzotriazol-1-ium-2-id-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 649.466 g·mol−1
Heat of Formation -1900.6 ± 16.7 kJ·mol−1
Dipole Moment 10.63 ± 1.08 D
Volume 683.45 Å 3
Surface Area 514.71 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[2-(1-benzotriazolyl)-3-[4-(difluoro-phosphonomethyl)phenyl]-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid
  • [[4-[2-(benzotriazol-1-yl)-3-[4-(difluoro-phosphono-methyl)phenyl]-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[2-(benzotriazol-1-yl)-3-[4-(difluoro-phosphonomethyl)phenyl]-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid
InChIKey WNNXXNZHCLRWMD-UHFFFAOYSA-N
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