About 1-bromo-3,5-bis(bromomethyl)benzene
1-bromo-3,5-bis(bromomethyl)benzene (PubChem CID 4294298) has the molecular formula C8H7Br3
and a molecular weight of 342.86 g/mol. Its IUPAC name is 1-bromo-3,5-bis(bromomethyl)benzene.
Molecular Properties
| Compound Name | 1-bromo-3,5-bis(bromomethyl)benzene |
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| PubChem CID | 4294298 |
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| Molecular Formula | C8H7Br3 |
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| Molecular Weight | 342.86 g/mol |
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| Exact Mass | 339.81 |
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| IUPAC Name | 1-bromo-3,5-bis(bromomethyl)benzene |
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| SMILES | BrCc1cc(Br)cc(CBr)c1 |
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| InChI | InChI=1S/C8H7Br3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5H2 |
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| InChIKey | FTJLVLCWBYPFGX-UHFFFAOYSA-N |
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| XLogP | 4.24 |
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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 | 2 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 342.86 |
| LogP ≤ 5 | 4.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-bromo-3,5-bis(bromomethyl)benzene?
The IUPAC name of 1-bromo-3,5-bis(bromomethyl)benzene (CID 4294298) is 1-bromo-3,5-bis(bromomethyl)benzene.
What is the SMILES notation for 1-bromo-3,5-bis(bromomethyl)benzene?
The canonical SMILES for 1-bromo-3,5-bis(bromomethyl)benzene is BrCc1cc(Br)cc(CBr)c1.
What is the InChIKey of 1-bromo-3,5-bis(bromomethyl)benzene?
The InChIKey is FTJLVLCWBYPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5H2.
What are the key properties of 1-bromo-3,5-bis(bromomethyl)benzene?
1-bromo-3,5-bis(bromomethyl)benzene has a molecular weight of 342.86 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-bis(bromomethyl)benzene is sourced from PubChem (CID 4294298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).