Cobalt
- Iupac Name：cobalt(2+);trifluoromethanesulfonate
- CAS No.: 58164-61-7
- Molecular Weight：357.08
- Modify Date.: 2022-10-31 20:50
1. Names and Identifiers
- 1.1 Name
- Cobalt
- 1.2 Synonyms
Cobalt(II)trifluoromethanesulfonate
- 1.3 CAS No.
- 58164-61-7
- 1.4 CID
- 12984862
- 1.5 Molecular Formula
- C2CoF6O6S2 (isomer)
- 1.6 Inchi
- InChI=1S/2CHF3O3S.Co/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
- 1.7 InChIkey
- RDLMYNHWUFIVQE-UHFFFAOYSA-L
- 1.8 Canonical Smiles
- C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Co+2]
- 1.9 Isomers Smiles
- C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Co+2]
2. Computational chemical data
- Molecular Weight: 357.08g/mol
- Molecular Formula: C2CoF6O6S2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 356.837243
- Monoisotopic Mass: 356.837243
- Complexity: 145
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Topological Polar Surface Area: 131
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADcQBAOcBgAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQAAAAAAAAAABAAAAAAAAIAAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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4. Realated Product Infomation
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