Basic information
- CAS
58689-69-3- Standard SMILES
[Cl][Zr][Cl].[c-]1[c-][c-][c-](Cc2ccccc2)[c-]1.[c-]1[c-][c-][c-](Cc2ccccc2)[c-]1- InChIKey
YCNADMBSDJNKTQ-UHFFFAOYSA-L- Molecular formula
- C24H14Cl2Zr-10
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 461.951955
Names & identifiers
- Preferred name
- (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium
- IUPAC
- bis(cyclopenta-2,4-dien-1-ylmethylbenzene);dichlorozirconium
Names & synonyms
NSC325010NSC-325010(Dichloro)bis(.eta.(sup5)-benzylcyclopentadienyl)zirconiumZirconium,2,3,4,5-.eta.)-1-(phenylmethyl)-2,4-cyclopentadien-1-yl]-58689-69-3
Database identifiers
- CAS
58689-69-3- PubChem CID
- 433199
- DTXSID
DTXSID80330872
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- -10
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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