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Delta-tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) di chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate SKJ-3

Catalog Number ACM1867120157-1
CAS 1867120-15-7
Synonyms (2-Azanidyl-1,2-diphenylethyl)azanide;cobalt(3+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
Molecular Weight 1368.8
Molecular Formula C66H42BCoF20N6
Canonical SMILES [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].[Co+3]
InChI InChI=1S/C24BF20.3C14H14N2.Co/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h;3*1-10,13-16H;/q-1;3*-2;+3
InChI Key NURLGKOHPYTJSP-UHFFFAOYSA-N
Purity 98%
Appearance Orange solid
Complexity 1430
Covalently-Bonded Unit Count 5
Defined Atom Stereocenter Count 0
Exact Mass 1368.257657
Heavy Atom Count 94
Hydrogen Bond Acceptor Count 27
Hydrogen Bond Donor Count 6
Monoisotopic Mass 1368.257657
Rotatable Bond Count 10
Topological Polar Surface Area 6 Ų

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