{4'-[(2R)-2-(1H-Benzotriazol-1-Yl)-3-{4-[Difluoro(Phosphono)Methyl]Phenyl}-2-Phenylpropyl]-3-Biphenylyl}Phosphonic Acid

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Properties Simple | Detailed

Formula C34H29F2N3O6P2
IUPAC Name [3-[4-[(2r)-2-(benzotriazol-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-phenyl-propyl]phenyl]phenyl]phosphonic acid
Molecular Mass 675.555 g·mol−1
Heat of Formation -1359.5 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 737.17 Å 3
Surface Area 574.05 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid
  • [[4-[(2r)-2-(1-benzotriazolyl)-2-phenyl-3-[4-(3-phosphonophenyl)phenyl]propyl]phenyl]-difluoromethyl]phosphonic acid
  • [[4-[(2r)-2-(benzotriazol-1-yl)-2-phenyl-3-[4-(3-phosphonophenyl)phenyl]propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2r)-2-(benzotriazol-1-yl)-2-phenyl-3-[4-(3-phosphonophenyl)phenyl]propyl]phenyl]-difluoromethyl]phosphonic acid
InChIKey DIRCLNUEXQQLRT-MGBGTMOVSA-N
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