About 1-bromo-4-(diazomethyl)benzene
1-bromo-4-(diazomethyl)benzene (PubChem CID 12584591) has the molecular formula C7H5BrN2
and a molecular weight of 197.04 g/mol. Its IUPAC name is 1-bromo-4-(diazomethyl)benzene.
Molecular Properties
| Compound Name | 1-bromo-4-(diazomethyl)benzene |
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| PubChem CID | 12584591 |
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| Molecular Formula | C7H5BrN2 |
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| Molecular Weight | 197.04 g/mol |
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| Exact Mass | 195.96 |
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| IUPAC Name | 1-bromo-4-(diazomethyl)benzene |
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| SMILES | [N-]=[N+]=Cc1ccc(Br)cc1 |
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| InChI | InChI=1S/C7H5BrN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H |
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| InChIKey | DIXNHFYWIDAWDL-UHFFFAOYSA-N |
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| XLogP | 2.10 |
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| TPSA | 36.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 197.04 |
| LogP ≤ 5 | 2.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-bromo-4-(diazomethyl)benzene?
The IUPAC name of 1-bromo-4-(diazomethyl)benzene (CID 12584591) is 1-bromo-4-(diazomethyl)benzene.
What is the SMILES notation for 1-bromo-4-(diazomethyl)benzene?
The canonical SMILES for 1-bromo-4-(diazomethyl)benzene is [N-]=[N+]=Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(diazomethyl)benzene?
The InChIKey is DIXNHFYWIDAWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H.
What are the key properties of 1-bromo-4-(diazomethyl)benzene?
1-bromo-4-(diazomethyl)benzene has a molecular weight of 197.04 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(diazomethyl)benzene is sourced from PubChem (CID 12584591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).