| CAS Number | 889676-12-4 |
| Catalog Number | AG00IFIY |
| Chemical Name | Methylenebis(4,1-phenylene) bis(trifluoromethanesulfonate) |
| IUPAC Name | [4-[[4-(trifluoromethylsulfonyloxy)phenyl]methyl]phenyl] trifluoromethanesulfonate |
| InChI | InChI=1S/C15H10F6O6S2/c16-14(17,18)28(22,23)26-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)27-29(24,25)15(19,20)21/h1-8H,9H2 |
| InChI Key | QDLVLFXYEUFYDM-UHFFFAOYSA-N |
| MDL Number | MFCD30491878 |
| Molecular Formula | C15H10F6O6S2 |
| Molecular Weight | 464.3567 |
| SMILES | FC(S(=O)(=O)OC1=CC=C(C=C1)CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)(F)F |
| Synonyms | methylenebis(4,1-phenylene) bis(trifluoromethanesulfonate),
889676-12-4,
SCHEMBL3841079,
MFCD30491878,
ZINC78013829,
AKOS030629893,
CS-W018389,
AS-48620,
|
| Complexity | 670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 463.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.349g/mol |
| Monoisotopic Mass | 463.982g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
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Certificate of Analysis
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