| CAS Number | 6944-05-4 |
| Catalog Number | AG003T3J(AGN-PC-0TVS03) |
| Chemical Name | p-Toluenesulfonic acid nickel salt |
| IUPAC Name | 4-methylbenzenesulfonate;nickel(2+) |
| InChI | InChI=1S/2C7H8O3S.Ni/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2 |
| InChI Key | IDYLMOYUCOPIRT-UHFFFAOYSA-L |
| MDL Number | MFCD00070542 |
| Molecular Formula | C14H14NiO6S2 |
| Molecular Weight | 401.0808 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ni+2].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| Synonyms | 6944-05-4,
p-Toluenesulfonic acid nickel salt,
nickel p-toluenesulfonate,
Nickel(II) p-Toluenesulfonate,
SCHEMBL1499906,
Nickel(II)bis(p-toluenesulfonate),
nickel(II) 4-methylbenzenesulfonate,
AKOS030567728,
p-Toluenesulfonic Acid Nickel(II) Salt,
Nickel(II) p-Toluenesulfonate Hexahydrate, 98%,
nickel(ii) p-toluenesulfonate hexahydrate,
T0276,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.073g/mol |
| Monoisotopic Mass | 399.959g/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