| CAS Number | 137472-17-4 |
| Catalog Number | AG0013C3(AGN-PC-0PLG5H) |
| Chemical Name | 1,3-bis({[3,5-bis({[3,5-bis(benzyloxy)phenyl]methoxy})phenyl]methoxy})-5-(bromomethyl)benzene |
| IUPAC Name | 1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene |
| InChI | InChI=1S/C105H91BrO14/c106-62-85-41-92(115-71-90-51-102(117-73-86-43-94(107-63-77-25-9-1-10-26-77)56-95(44-86)108-64-78-27-11-2-12-28-78)60-103(52-90)118-74-87-45-96(109-65-79-29-13-3-14-30-79)57-97(46-87)110-66-80-31-15-4-16-32-80)55-93(42-85)116-72-91-53-104(119-75-88-47-98(111-67-81-33-17-5-18-34-81)58-99(48-88)112-68-82-35-19-6-20-36-82)61-105(54-91)120-76-89-49-100(113-69-83-37-21-7-22-38-83)59-101(50-89)114-70-84-39-23-8-24-40-84/h1-61H,62-76H2 |
| InChI Key | ZCZKYSOONGSDFE-UHFFFAOYSA-N |
| MDL Number | MFCD32206573 |
| Molecular Formula | C105H91BrO14 |
| Molecular Weight | 1656.7416 |
| SMILES | C1(=CC=CC=C1)COC=1C=C(C=C(C1)OCC1=CC=CC=C1)COC=1C=C(C=C(C1)OCC1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COC1=CC(=CC(=C1)CBr)OCC1=CC(=CC(=C1)OCC1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1 |
| Synonyms | 137472-17-4,
Benzene,1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)-,
SCHEMBL13241481,
3,5-Bis[3,5-bis[3,5-bis(benzyloxy)benzyloxy]benzyloxy]benzyl bromide,
Benzene, 1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)-,
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| Complexity | 2220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1655.563g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 120 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1656.773g/mol |
| Monoisotopic Mass | 1654.559g/mol |
| Rotatable Bond Count | 43 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 23 |
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Certificate of Analysis
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