| CAS Number | 139725-20-5 |
| Catalog Number | AG00A1IF(AGN-PC-0POT4S) |
| Chemical Name | propane-2,2-diylbis(4,1-phenylene) bis(trifluoromethanesulfonate) |
| IUPAC Name | [4-[2-[4-(trifluoromethylsulfonyloxy)phenyl]propan-2-yl]phenyl] trifluoromethanesulfonate |
| InChI | InChI=1S/C17H14F6O6S2/c1-15(2,11-3-7-13(8-4-11)28-30(24,25)16(18,19)20)12-5-9-14(10-6-12)29-31(26,27)17(21,22)23/h3-10H,1-2H3 |
| InChI Key | JBZAWUXTXDAWOT-UHFFFAOYSA-N |
| MDL Number | MFCD30491879 |
| Molecular Formula | C17H14F6O6S2 |
| Molecular Weight | 492.4099 |
| SMILES | CC(C)(C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1 |
| Synonyms | propane-2,2-diylbis(4,1-phenylene) bis(trifluoromethanesulfonate),
139725-20-5,
SCHEMBL3842500,
MFCD30491879,
AKOS030629898,
ZINC135638785,
CS-W018388,
AS-48627,
Bis(trifluoromethanesulfonic acid)isopropylidenebis(4,1-phenylene) ester,
CID11071030,
1-(trifluoromethylsulfonyloxy)-4-[2-[4-(trifluoromethylsulfonyloxy)phenyl]propan-2-yl]benzene,
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| Complexity | 739 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 492.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 492.403g/mol |
| Monoisotopic Mass | 492.014g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number