| CAS Number | 152873-79-5 |
| Catalog Number | AG00ADY6(AGN-PC-0Q6F2D) |
| Chemical Name | 1,5-NAphthalenebis(trifluoromethanesulfonate) |
| IUPAC Name | [5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate |
| InChI | InChI=1S/C12H6F6O6S2/c13-11(14,15)25(19,20)23-9-5-1-3-7-8(9)4-2-6-10(7)24-26(21,22)12(16,17)18/h1-6H |
| InChI Key | IFHGSECJTKJJIJ-UHFFFAOYSA-N |
| MDL Number | MFCD23380211 |
| Molecular Formula | C12H6F6O6S2 |
| Molecular Weight | 424.2929 |
| SMILES | C1=CC2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)C(=C1)OS(=O)(=O)C(F)(F)F |
| Synonyms | 1,5-Naphthalenebis(trifluoromethanesulfonate),
152873-79-5,
1,5-Naphthaleneditriflate,
SCHEMBL203899,
DTXSID80566376,
IFHGSECJTKJJIJ-UHFFFAOYSA-N,
MFCD23380211,
ZINC101777155,
N0925,
1,5-bis(trifluoromethylsulfonyloxy)naphthalene,
Naphthalene-1,5-diyl bis(trifluoromethanesulfonate),
5-{[(trifluoromethyl) sulfonyl]oxy}naphthyl trifluoromethanesulfonate,
5-{[(trifluoromethyl)sulfonyl]oxy}naphthyl trifluoromethanesulfonate,
Trifluoro-methanesulfonic acid 5-trifluoromethanesulfonyloxy-naphthalen-1-yl ester,
|
| Complexity | 641 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.284g/mol |
| Monoisotopic Mass | 423.951g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number