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[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID


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Chemical Component Summary

Name[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
Identifiers[[4-[2-(benzotriazol-1-yl)-3-[4-(difluoro-phosphono-methyl)phenyl]-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid
FormulaC29 H25 F4 N3 O6 P2
Molecular Weight649.466
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4
InChIInChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
InChIKeyWNNXXNZHCLRWMD-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count73
Aromatic Bond Count28

Related Resource References

Resource NameReference
Pharos CHEMBL276647
PubChem 448021
ChEMBL CHEMBL276647