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FK102Co(II) TFSI salt

Catalog Number ACM2057441946-1
CAS 2057441-94-6
Synonyms Bis(trifluoromethylsulfonyl)azanide;cobalt(3+);2-pyrazol-1-ylpyridine
Molecular Weight 1334.9
Molecular Formula C30H21CoF18N12O12S6
Canonical SMILES C1=CC=NC(=C1)N2C=CC=N2.C1=CC=NC(=C1)N2C=CC=N2.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.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Co+3]
InChI InChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;/q;3*-1;+3
InChI Key ILXRZLQXWLMDFQ-UHFFFAOYSA-N
Purity 98%
Complexity 831
Covalently-Bonded Unit Count 7
Defined Atom Stereocenter Count 0
Exact Mass 1333.877067
Heavy Atom Count 79
Hydrogen Bond Acceptor Count 39
Hydrogen Bond Donor Count 0
Monoisotopic Mass 1333.877067
Rotatable Bond Count 6
Topological Polar Surface Area 350 Ų

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