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1,10-PHenanthroline)tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]europium(III)

Catalog Number ACM17904868-2
CAS 17904-86-8
Structure 1,10-PHenanthroline)tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]europium(III)
Synonyms Europium;1,10-phenanthroline;(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
Molecular Weight 995.7
Molecular Formula C36H20EuF9N2O6S3
Canonical SMILES C1=CC2=C(N=C1)C3=C(C=C2)C=CC=N3.C1=CSC(=C1)C(=O)/C=C(\O)/C(F)(F)F.C1=CSC(=C1)C(=O)/C=C(\O)/C(F)(F)F.C1=CSC(=C1)C(=O)/C=C(\O)/C(F)(F)F.[Eu]
InChI InChI=1S/C12H8N2.3C8H5F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;3*1-4,13H;/b;3*7-4-;
InChI Key TZMUIUOWVAGEIF-QSDLRBNBSA-N
Melting Point 248 °C
Purity 98%
Complexity 1100
Covalently-Bonded Unit Count 5
Defined Atom Stereocenter Count 0
Exact Mass 998.97869
Heavy Atom Count 57
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 3
Monoisotopic Mass 998.97869
Rotatable Bond Count 6
Topological Polar Surface Area 222 Ų

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