| CAS Number | 594838-61-6 |
| Catalog Number | AG00IMCS(AGN-PC-0SSCL2) |
| Chemical Name | 2,6-Bis(trifluoromethanesulfonyloxy)anthracene |
| IUPAC Name | [6-(trifluoromethylsulfonyloxy)anthracen-2-yl] trifluoromethanesulfonate |
| InChI | InChI=1S/C16H8F6O6S2/c17-15(18,19)29(23,24)27-13-3-1-9-5-12-8-14(28-30(25,26)16(20,21)22)4-2-10(12)6-11(9)7-13/h1-8H |
| InChI Key | ZGOORSQUXBKABZ-UHFFFAOYSA-N |
| MDL Number | MFCD30725736 |
| Molecular Formula | C16H8F6O6S2 |
| Molecular Weight | 474.3515 |
| SMILES | C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
| Synonyms | 2,6-Bis(trifluoromethanesulfonyloxy)anthracene,
594838-61-6,
SCHEMBL13933202,
2,6-Bis(trifluoromethylsulfonyloxy)anthracene,
Anthracene-2,6-diyl Bis(trifluoromethanesulfonate),
A3127,
|
| Complexity | 756 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 473.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.344g/mol |
| Monoisotopic Mass | 473.967g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number