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Tris[4-tert-butyl-2-(1H-pyrazol-1-yl)pyridine]cobalt(II) bis(trifluoromethanesulfonyl)imide salt

Catalog Number ACM1447938659
CAS 1447938-65-9
Synonyms FK 209 Co(II) TFSI salt
Molecular Weight 1223
Molecular Formula C40H45CoF12N11O8S4
Canonical SMILES CC(C)(C)C1=CC(=NC=C1)N2C=CC=N2.CC(C)(C)C1=CC(=NC=C1)N2C=CC=N2.CC(C)(C)C1=CC(=NC=C1)N2C=CC=N2.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Co+2]
InChI InChI=1S/3C12H15N3.2C2F6NO4S2.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*4-9H,1-3H3;/q;2*-1;+2
InChI Key CUSFJXUEEGOGPG-UHFFFAOYSA-N
Purity 98%
Complexity 1120
Covalently-Bonded Unit Count 6
Defined Atom Stereocenter Count 0
Exact Mass 1222.147574
Heavy Atom Count 76
Hydrogen Bond Acceptor Count 28
Hydrogen Bond Donor Count 0
Monoisotopic Mass 1222.147574
Rotatable Bond Count 7
Topological Polar Surface Area 264 Ų

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