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176763-62-5 | (R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)
CAS No: 176763-62-5 Catalog No: AG0032FJ MDL No:MFCD01631277
Product Description
Catalog Number:
AG0032FJ
Chemical Name:
(R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)
CAS Number:
176763-62-5
Molecular Formula:
C36H52CoN2O2
Molecular Weight:
603.7435
MDL Number:
MFCD01631277
IUPAC Name:
cobalt;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
InChI:
InChI=1S/C36H54N2O2.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;/h17-22,29-30,39-40H,13-16H2,1-12H3;/t29-,30-;/m1./s1
InChI Key:
PCZWNUHBFITYKI-GAQUOPITSA-N
SMILES:
CC(c1cc2/C=N/[C@@H]3CCCC[C@H]3/N=C/c3c(O[Co]Oc2c(c1)C(C)(C)C)c(cc(c3)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
605.352g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
605.773g/mol
Monoisotopic Mass:
605.352g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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