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CHEBI:59824 - [(1E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl]zirconocene chloride

ChEBI IDCHEBI:59824
ChEBI Name[(1E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl]zirconocene chloride
Stars
ASCII Name[(1E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl]zirconocene chloride
DefinitionA gem-borazirconocene in which the two cyclopentadienyl rings, Cl, and C(sp2) bonded to a dioxaborolanyl system are coordinated to the zirconium atom.
Last Modified21 July 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H32BClO2Zr
Net Charge0
Average Mass465.985
Monoisotopic Mass464.12309
SMILESCC(C)(C)/C=[C](\B1OC(C)(C)C(C)(C)O1)[Zr]12345678([Cl])([CH]9[CH]1[CH]2[CH]3[CH]94)[CH]1[CH]5[CH]6[CH]7[CH]18
InChIInChI=1S/C12H22BO2.2C5H5.ClH.Zr/c1-10(2,3)8-9-13-14-11(4,5)12(6,7)15-13;2*1-2-4-5-3-1;;/h8H,1-7H3;2*1-5H;1H;/q;;;;+1/p-1
InChIKeyDMWBMFOMSNBUMG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
[(1E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl]zirconocene chloride (CHEBI:59824) is a borazirconocene (CHEBI:51018)
IUPAC Name 
chloro[bis(η5-cyclopentadienyl)][(1E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl]zirconium