About bis(iron(3+));hexabromide
bis(iron(3+));hexabromide (PubChem CID 172997981) has the molecular formula Br6Fe2
and a molecular weight of 591.11 g/mol. Its IUPAC name is bis(iron(3+));hexabromide.
Molecular Properties
| Compound Name | bis(iron(3+));hexabromide |
|---|
| PubChem CID | 172997981 |
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| Molecular Formula | Br6Fe2 |
|---|
| Molecular Weight | 591.11 g/mol |
|---|
| Exact Mass | 585.38 |
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| IUPAC Name | bis(iron(3+));hexabromide |
|---|
| SMILES | [Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Fe+3].[Fe+3] |
|---|
| InChI | InChI=1S/6BrH.2Fe/h6*1H;;/q;;;;;;2*+3/p-6 |
|---|
| InChIKey | OCDFPSFZGDEFTJ-UHFFFAOYSA-H |
|---|
| XLogP | -17.98 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 591.11 |
| LogP ≤ 5 | -17.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of bis(iron(3+));hexabromide?
The IUPAC name of bis(iron(3+));hexabromide (CID 172997981) is bis(iron(3+));hexabromide.
What is the SMILES notation for bis(iron(3+));hexabromide?
The canonical SMILES for bis(iron(3+));hexabromide is [Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Fe+3].[Fe+3].
What is the InChIKey of bis(iron(3+));hexabromide?
The InChIKey is OCDFPSFZGDEFTJ-UHFFFAOYSA-H. The full InChI is InChI=1S/6BrH.2Fe/h6*1H;;/q;;;;;;2*+3/p-6.
What are the key properties of bis(iron(3+));hexabromide?
bis(iron(3+));hexabromide has a molecular weight of 591.11 g/mol, XLogP of -17.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iron(3+));hexabromide is sourced from PubChem (CID 172997981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).