5H-inden-5-ide;zirconium(4+);trichloride

C9H7Cl3Zr — CID 74765452

IUPAC5H-inden-5-ide;zirconium(4+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Zr+4].c1cc2cc[cH-]cc-2c1
InChIInChI=1S/C9H7.3ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3
InChIKeySVFSDCWNDPBEDV-UHFFFAOYSA-K
MW312.74 g/mol
LogP-6.48
Rot. Bonds

About 5H-inden-5-ide;zirconium(4+);trichloride

5H-inden-5-ide;zirconium(4+);trichloride (PubChem CID 74765452) has the molecular formula C9H7Cl3Zr and a molecular weight of 312.74 g/mol. Its IUPAC name is 5H-inden-5-ide;zirconium(4+);trichloride.

Molecular Properties

Compound Name5H-inden-5-ide;zirconium(4+);trichloride
PubChem CID74765452
Molecular FormulaC9H7Cl3Zr
Molecular Weight312.74 g/mol
Exact Mass309.87
IUPAC Name5H-inden-5-ide;zirconium(4+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Zr+4].c1cc2cc[cH-]cc-2c1
InChIInChI=1S/C9H7.3ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3
InChIKeySVFSDCWNDPBEDV-UHFFFAOYSA-K
XLogP-6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 5-6.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5H-inden-5-ide;zirconium(4+);trichloride?
The IUPAC name of 5H-inden-5-ide;zirconium(4+);trichloride (CID 74765452) is 5H-inden-5-ide;zirconium(4+);trichloride.
What is the SMILES notation for 5H-inden-5-ide;zirconium(4+);trichloride?
The canonical SMILES for 5H-inden-5-ide;zirconium(4+);trichloride is [Cl-].[Cl-].[Cl-].[Zr+4].c1cc2cc[cH-]cc-2c1.
What is the InChIKey of 5H-inden-5-ide;zirconium(4+);trichloride?
The InChIKey is SVFSDCWNDPBEDV-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.3ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 5H-inden-5-ide;zirconium(4+);trichloride?
5H-inden-5-ide;zirconium(4+);trichloride has a molecular weight of 312.74 g/mol, XLogP of -6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-inden-5-ide;zirconium(4+);trichloride is sourced from PubChem (CID 74765452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).