About benzene;zirconium;trihydrochloride
benzene;zirconium;trihydrochloride (PubChem CID 173103882) has the molecular formula C6H8Cl3Zr-
and a molecular weight of 277.71 g/mol. Its IUPAC name is benzene;zirconium;trihydrochloride.
Molecular Properties
| Compound Name | benzene;zirconium;trihydrochloride |
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| PubChem CID | 173103882 |
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| Molecular Formula | C6H8Cl3Zr- |
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| Molecular Weight | 277.71 g/mol |
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| Exact Mass | 274.87 |
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| IUPAC Name | benzene;zirconium;trihydrochloride |
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| SMILES | Cl.Cl.Cl.[Zr].[c-]1ccccc1 |
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| InChI | InChI=1S/C6H5.3ClH.Zr/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;; |
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| InChIKey | SBBATHNGBPGEMD-UHFFFAOYSA-N |
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| XLogP | 2.75 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 277.71 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 benzene;zirconium;trihydrochloride?
The IUPAC name of benzene;zirconium;trihydrochloride (CID 173103882) is benzene;zirconium;trihydrochloride.
What is the SMILES notation for benzene;zirconium;trihydrochloride?
The canonical SMILES for benzene;zirconium;trihydrochloride is Cl.Cl.Cl.[Zr].[c-]1ccccc1.
What is the InChIKey of benzene;zirconium;trihydrochloride?
The InChIKey is SBBATHNGBPGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.3ClH.Zr/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;.
What are the key properties of benzene;zirconium;trihydrochloride?
benzene;zirconium;trihydrochloride has a molecular weight of 277.71 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;zirconium;trihydrochloride is sourced from PubChem (CID 173103882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).