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Basic Information
CAS No.: 138533-79-6
Name: 1,1'-ISOPROPYLIDENEZIRCONOCENE DICHLORIDE
Molecular Structure:
Molecular Structure of 138533-79-6 (1,1'-ISOPROPYLIDENEZIRCONOCENE DICHLORIDE)
Formula: C13H14Cl2Zr 
Molecular Weight: 332.384
Synonyms: 1,1'-Isopropylidenezirconocene dichloride;
PSA: 0.00000
LogP: 4.20220
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Specification

The Isopropylidenebis(cyclopentadienyl)zirconium dichloride, with the CAS registry number of 138533-79-6, is also known as 1,1'-Isopropylidenezirconocene dichloride. It belongs to the product categories of Classes of Metal Compounds; Metallocenes; Titanocene, etc.; Transition Metal Compounds; Zr (Zirconium) Compounds. This chemical's molecular formula is C13H14Cl2Zr and molecular weight is 332.38.

Physical properties about the Isopropylidenebis(cyclopentadienyl)zirconium dichloride are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 0 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES:C[C@]1(C2=CC=CC2[Zr@@](C3C1=CC=C3)(Cl)Cl)C
(2) InChI:InChI=1/C13H14.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-10H,1-2H3;2*1H;/q;;;+2/p-2/rC13H14Cl2Zr/c1-13(2)9-5-3-7-11(9)16(14,15)12-8-4-6-10(12)13/h3-8,11-12H,1-2H3
(3) InChIKey:FJKZZHGOFQWRBX-JAIPBBJDAU