About barium(2+);hydride;iron
barium(2+);hydride;iron (PubChem CID 173054995) has the molecular formula H2BaFe
and a molecular weight of 195.19 g/mol. Its IUPAC name is barium(2+);hydride;iron.
Molecular Properties
| Compound Name | barium(2+);hydride;iron |
|---|
| PubChem CID | 173054995 |
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| Molecular Formula | H2BaFe |
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| Molecular Weight | 195.19 g/mol |
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| Exact Mass | 195.86 |
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| IUPAC Name | barium(2+);hydride;iron |
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| SMILES | [Ba+2].[Fe].[H-].[H-] |
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| InChI | InChI=1S/Ba.Fe.2H/q+2;;2*-1 |
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| InChIKey | SQVNNCIRYIQSCE-UHFFFAOYSA-N |
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| XLogP | -0.16 |
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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 | 2 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 195.19 |
| LogP ≤ 5 | -0.16 |
| 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 barium(2+);hydride;iron?
The IUPAC name of barium(2+);hydride;iron (CID 173054995) is barium(2+);hydride;iron.
What is the SMILES notation for barium(2+);hydride;iron?
The canonical SMILES for barium(2+);hydride;iron is [Ba+2].[Fe].[H-].[H-].
What is the InChIKey of barium(2+);hydride;iron?
The InChIKey is SQVNNCIRYIQSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Fe.2H/q+2;;2*-1.
What are the key properties of barium(2+);hydride;iron?
barium(2+);hydride;iron has a molecular weight of 195.19 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;iron is sourced from PubChem (CID 173054995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).