51094-78-1 Purity
98%
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Specification
The molecular formula is C22H40Cl2O4Ti.
The synonyms are 53293-32-6, Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV), MFCD00144106, and Dichlorotitanium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV), 97%.
The molecular weight is 487.3 g/mol.
The IUPAC name is dichlorotitanium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one.
The InChI is InChI=1S/2C11H20O2.2ClH.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;2*1H;/q;;;;+2/p-2/b2*8-7-;;;
The InChIKey is LRDNVKNHGUIQEV-KKUWAICFSA-L.
The canonical SMILES is CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.Cl[Ti]Cl.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
The rotatable bond count is 6.