About magnesium;1-bromo-4-methylbenzene;hydride
magnesium;1-bromo-4-methylbenzene;hydride (PubChem CID 173035021) has the molecular formula C7H9BrMg
and a molecular weight of 197.36 g/mol. Its IUPAC name is magnesium;1-bromo-4-methylbenzene;hydride.
Molecular Properties
| Compound Name | magnesium;1-bromo-4-methylbenzene;hydride |
|---|
| PubChem CID | 173035021 |
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| Molecular Formula | C7H9BrMg |
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| Molecular Weight | 197.36 g/mol |
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| Exact Mass | 195.97 |
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| IUPAC Name | magnesium;1-bromo-4-methylbenzene;hydride |
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| SMILES | Cc1ccc(Br)cc1.[H-].[H-].[Mg+2] |
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| InChI | InChI=1S/C7H7Br.Mg.2H/c1-6-2-4-7(8)5-3-6;;;/h2-5H,1H3;;;/q;+2;2*-1 |
|---|
| InChIKey | KGRYKNACSIHGJQ-UHFFFAOYSA-N |
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| XLogP | 2.60 |
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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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 197.36 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of magnesium;1-bromo-4-methylbenzene;hydride?
The IUPAC name of magnesium;1-bromo-4-methylbenzene;hydride (CID 173035021) is magnesium;1-bromo-4-methylbenzene;hydride.
What is the SMILES notation for magnesium;1-bromo-4-methylbenzene;hydride?
The canonical SMILES for magnesium;1-bromo-4-methylbenzene;hydride is Cc1ccc(Br)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-bromo-4-methylbenzene;hydride?
The InChIKey is KGRYKNACSIHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.Mg.2H/c1-6-2-4-7(8)5-3-6;;;/h2-5H,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-bromo-4-methylbenzene;hydride?
magnesium;1-bromo-4-methylbenzene;hydride has a molecular weight of 197.36 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromo-4-methylbenzene;hydride is sourced from PubChem (CID 173035021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).