| CAS Number | 71735-31-4 |
| Catalog Number | AG003NZF(AGN-PC-0TZ7QC) |
| Chemical Name | Benzenesulfonic acid, 2,3,4,5,6-pentafluoro-, barium salt (2:1) |
| EC Number | 275-943-6 |
| IUPAC Name | barium(2+);2,3,4,5,6-pentafluorobenzenesulfonate |
| InChI | InChI=1S/2C6HF5O3S.Ba/c2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h2*(H,12,13,14);/q;;+2/p-2 |
| InChI Key | BLLYNRVBNWQNNM-UHFFFAOYSA-L |
| MDL Number | MFCD00013107 |
| Molecular Formula | C6HBaF5O3S |
| Molecular Weight | 385.4544 |
| SMILES | Fc1c(F)c(F)c(c(c1F)S(=O)(=O)[O-])F.Fc1c(F)c(F)c(c(c1F)S(=O)(=O)[O-])F.[Ba+2] |
| Synonyms | Barium pentafluorobenzenesulfonate,
71735-31-4,
Pentafluorobenzenesulfonic acid barium salt,
ACMC-1BHZ0,
SCHEMBL2870249,
CTK8C5759,
TC-167855,
Bis(pentafluorobenzenesulfonic acid)barium salt,
C6HF5O3S.1/2Ba,
Barium pentafluorobenzenesulphonate,
C6-H-F5-O3-S.1/2Ba,
EINECS 275-943-6,
BARIUMPENTAFLUOROBENZENESULFONATE,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 631.803g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 631.557g/mol |
| Monoisotopic Mass | 631.803g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number