Zirconocene dichloride (CHEBI:231508)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Zirconocene dichloride

ChEBI ID	CHEBI:231508

Stars	This entity has been manually annotated by a third party.

Submitter	Noura Rayya

Supplier Information

Download	Molfile XML SDF

Formula

C10H10Cl2Zr

Net Charge

Average Mass

292.310

Monoisotopic Mass

289.92066

InChI

InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2

InChIKey

QRUYYSPCOGSZGQ-UHFFFAOYSA-L

SMILES

[Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl

Roles Classification
Chemical Role(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

Application(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

ChEBI Ontology
Outgoing	Zirconocene dichloride (CHEBI:231508) has role NMR chemical shift reference compound (CHEBI:228364) Zirconocene dichloride (CHEBI:231508) is a organochlorine compound (CHEBI:36683) Zirconocene dichloride (CHEBI:231508) is a zirconium coordination entity (CHEBI:51001)

Last Modified

06 June 2024