About magnesium;1,1,1-trideuterioethane;bromide
magnesium;1,1,1-trideuterioethane;bromide (PubChem CID 11205778) has the molecular formula C2H5BrMg
and a molecular weight of 136.29 g/mol. Its IUPAC name is magnesium;1,1,1-trideuterioethane;bromide.
Molecular Properties
| Compound Name | magnesium;1,1,1-trideuterioethane;bromide |
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| PubChem CID | 11205778 |
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| Molecular Formula | C2H5BrMg |
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| Molecular Weight | 136.29 g/mol |
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| Exact Mass | 134.96 |
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| IUPAC Name | magnesium;1,1,1-trideuterioethane;bromide |
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| SMILES | [2H]C([2H])([2H])[CH2-].[Br-].[Mg+2] |
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| InChI | InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i2D3;; |
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| InChIKey | FRIJBUGBVQZNTB-DHLLOTLESA-M |
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| XLogP | -2.54 |
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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 | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 136.29 |
| LogP ≤ 5 | -2.54 |
| 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 magnesium;1,1,1-trideuterioethane;bromide?
The IUPAC name of magnesium;1,1,1-trideuterioethane;bromide (CID 11205778) is magnesium;1,1,1-trideuterioethane;bromide.
What is the SMILES notation for magnesium;1,1,1-trideuterioethane;bromide?
The canonical SMILES for magnesium;1,1,1-trideuterioethane;bromide is [2H]C([2H])([2H])[CH2-].[Br-].[Mg+2].
What is the InChIKey of magnesium;1,1,1-trideuterioethane;bromide?
The InChIKey is FRIJBUGBVQZNTB-DHLLOTLESA-M. The full InChI is InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1/i2D3;;.
What are the key properties of magnesium;1,1,1-trideuterioethane;bromide?
magnesium;1,1,1-trideuterioethane;bromide has a molecular weight of 136.29 g/mol, XLogP of -2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,1,1-trideuterioethane;bromide is sourced from PubChem (CID 11205778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).