About 1,2,3,4-tetrachlorobenzene
1,2,3,4-tetrachlorobenzene (PubChem CID 12463) has the molecular formula C6H2Cl4
and a molecular weight of 215.89 g/mol. Its IUPAC name is 1,2,3,4-tetrachlorobenzene.
Molecular Properties
| Compound Name | 1,2,3,4-tetrachlorobenzene |
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| PubChem CID | 12463 |
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| Molecular Formula | C6H2Cl4 |
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| Molecular Weight | 215.89 g/mol |
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| Exact Mass | 213.89 |
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| IUPAC Name | 1,2,3,4-tetrachlorobenzene |
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| SMILES | Clc1ccc(Cl)c(Cl)c1Cl |
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| InChI | InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H |
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| InChIKey | GBDZXPJXOMHESU-UHFFFAOYSA-N |
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| XLogP | 4.30 |
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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 | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 215.89 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,2,3,4-tetrachlorobenzene?
The IUPAC name of 1,2,3,4-tetrachlorobenzene (CID 12463) is 1,2,3,4-tetrachlorobenzene.
What is the SMILES notation for 1,2,3,4-tetrachlorobenzene?
The canonical SMILES for 1,2,3,4-tetrachlorobenzene is Clc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachlorobenzene?
The InChIKey is GBDZXPJXOMHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of 1,2,3,4-tetrachlorobenzene?
1,2,3,4-tetrachlorobenzene has a molecular weight of 215.89 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachlorobenzene is sourced from PubChem (CID 12463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).