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130408-22-9 | Zirconium, dichlorobis[(1,2,3,3a,7a-η)-4,7-dimethyl-1H-inden-1-yl]-
CAS No: 130408-22-9 Catalog No: AG000UED MDL No:
Product Description
Catalog Number:
AG000UED
Chemical Name:
Zirconium, dichlorobis[(1,2,3,3a,7a-η)-4,7-dimethyl-1H-inden-1-yl]-
CAS Number:
130408-22-9
Molecular Formula:
C22H22Cl2Zr
Molecular Weight:
448.5401
IUPAC Name:
4,7-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride
InChI:
InChI=1S/2C11H11.2ClH.Zr/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;/h2*3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChI Key:
HTUQMBTYIHSYEI-UHFFFAOYSA-L
SMILES:
Cc1ccc(c2c1C(C=C2)[Zr+2]C1C=Cc2c1c(C)ccc2C)C.[Cl-].[Cl-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.015g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.542g/mol
Monoisotopic Mass:
446.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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