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119445-90-8 | Zirconium, dichlorobis[(1,2,3,4,5-η)-1,2,3,4-tetramethyl-2,4-cyclopentadien-1-yl]-
CAS No: 119445-90-8 Catalog No: AG000P7G MDL No:
Product Description
Catalog Number:
AG000P7G
Chemical Name:
Zirconium, dichlorobis[(1,2,3,4,5-η)-1,2,3,4-tetramethyl-2,4-cyclopentadien-1-yl]-
CAS Number:
119445-90-8
Molecular Formula:
C18H26Cl2Zr
Molecular Weight:
404.5290
IUPAC Name:
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
InChI:
InChI=1S/2C9H13.2ClH.Zr/c2*1-6-5-7(2)9(4)8(6)3;;;/h2*6H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChI Key:
TVVBKKGUEQYYTA-UHFFFAOYSA-L
SMILES:
CC1=C(C)C(C(=C1C)[Zr+2]C1=C(C)C(=C(C1C)C)C)C.[Cl-].[Cl-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.53g/mol
Monoisotopic Mass:
402.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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