About iron(2+);dibromide;hexahydrate
iron(2+);dibromide;hexahydrate (PubChem CID 139035144) has the molecular formula H12Br2FeO6
and a molecular weight of 323.74 g/mol. Its IUPAC name is iron(2+);dibromide;hexahydrate.
Molecular Properties
| Compound Name | iron(2+);dibromide;hexahydrate |
|---|
| PubChem CID | 139035144 |
|---|
| Molecular Formula | H12Br2FeO6 |
|---|
| Molecular Weight | 323.74 g/mol |
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| Exact Mass | 321.83 |
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| IUPAC Name | iron(2+);dibromide;hexahydrate |
|---|
| SMILES | O.O.O.O.O.O.[Br-].[Br-].[Fe+2] |
|---|
| InChI | InChI=1S/2BrH.Fe.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2 |
|---|
| InChIKey | NDNPXAGLLVWKAD-UHFFFAOYSA-L |
|---|
| XLogP | -10.94 |
|---|
| TPSA | 189.00 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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 323.74 |
| LogP ≤ 5 | -10.94 |
| 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 iron(2+);dibromide;hexahydrate?
The IUPAC name of iron(2+);dibromide;hexahydrate (CID 139035144) is iron(2+);dibromide;hexahydrate.
What is the SMILES notation for iron(2+);dibromide;hexahydrate?
The canonical SMILES for iron(2+);dibromide;hexahydrate is O.O.O.O.O.O.[Br-].[Br-].[Fe+2].
What is the InChIKey of iron(2+);dibromide;hexahydrate?
The InChIKey is NDNPXAGLLVWKAD-UHFFFAOYSA-L. The full InChI is InChI=1S/2BrH.Fe.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2.
What are the key properties of iron(2+);dibromide;hexahydrate?
iron(2+);dibromide;hexahydrate has a molecular weight of 323.74 g/mol, XLogP of -10.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);dibromide;hexahydrate is sourced from PubChem (CID 139035144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).