About magnesium;benzene;chloride
magnesium;benzene;chloride (PubChem CID 7513) has the molecular formula C6H5ClMg
and a molecular weight of 136.86 g/mol. Its IUPAC name is magnesium;benzene;chloride.
Molecular Properties
| Compound Name | magnesium;benzene;chloride |
|---|
| PubChem CID | 7513 |
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| Molecular Formula | C6H5ClMg |
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| Molecular Weight | 136.86 g/mol |
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| Exact Mass | 135.99 |
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| IUPAC Name | magnesium;benzene;chloride |
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| SMILES | [Cl-].[Mg+2].[c-]1ccccc1 |
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| InChI | InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1 |
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| InChIKey | IWCVDCOJSPWGRW-UHFFFAOYSA-M |
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| XLogP | -1.89 |
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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 | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 136.86 |
| LogP ≤ 5 | -1.89 |
| 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;benzene;chloride?
The IUPAC name of magnesium;benzene;chloride (CID 7513) is magnesium;benzene;chloride.
What is the SMILES notation for magnesium;benzene;chloride?
The canonical SMILES for magnesium;benzene;chloride is [Cl-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;chloride?
The InChIKey is IWCVDCOJSPWGRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;benzene;chloride?
magnesium;benzene;chloride has a molecular weight of 136.86 g/mol, XLogP of -1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;chloride is sourced from PubChem (CID 7513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).