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191803-21-1

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Basic Information
CAS No.: 191803-21-1
Name: BIS(N-OCTYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE
Molecular Structure:
Molecular Structure of 191803-21-1 (BIS(N-OCTYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE)
Formula: C26H42Cl2Zr
Molecular Weight: 516.74
Synonyms: 1,1'-Di-n-octyldicyclopentadienylzirconium(IV)dichloride;Bis(octylcyclopentadienyl)zirconium dichloride;
PSA: 0.00000
LogP: 9.66360
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Specification

The Bis(octylcyclopentadienyl)zirconium dichloride, with CAS registry number 191803-21-1, has the systematic name of zirconium(2+), bis(2-octyl-1,3-cyclopentadien-1-yl)-, chloride (1:2). And the chemical formula of this chemical is C26H42Cl2Zr. Its molecular weight is 516.74.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCC1=C(CC=C1)[Zr+2]C2=C(C=CC2)CCCCCCCC.[Cl-].[Cl-]
(2)InChI: InChI=1/2C13H21.2ClH.Zr/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-13;;;/h2*8,11H,2-7,9-10H2,1H3;2*1H;/q;;;;+2/p-2/rC26H42Zr.2ClH/c1-3-5-7-9-11-13-17-23-19-15-21-25(23)27-26-22-16-20-24(26)18-14-12-10-8-6-4-2;;/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3;2*1H/q+2;;/p-2
(3)InChIKey: QXVCAILRCXIWIF-JWQKGUAOAQ
(4)Std. InChI: InChI=1S/2C13H21.2ClH.Zr/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-13;;;/h2*8,11H,2-7,9-10H2,1H3;2*1H;/q;;;;+2/p-2
(5)Std. InChIKey: QXVCAILRCXIWIF-UHFFFAOYSA-L