About 2-chloronaphthalene;naphthalene
2-chloronaphthalene;naphthalene (PubChem CID 159169098) has the molecular formula C20H15Cl
and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloronaphthalene;naphthalene.
Molecular Properties
| Compound Name | 2-chloronaphthalene;naphthalene |
|---|
| PubChem CID | 159169098 |
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| Molecular Formula | C20H15Cl |
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| Molecular Weight | 290.79 g/mol |
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| Exact Mass | 290.09 |
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| IUPAC Name | 2-chloronaphthalene;naphthalene |
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| SMILES | Clc1ccc2ccccc2c1.c1ccc2ccccc2c1 |
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| InChI | InChI=1S/C10H7Cl.C10H8/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-6-10-8-4-3-7-9(10)5-1/h1-7H;1-8H |
|---|
| InChIKey | KLLMZLVOKMNJGC-UHFFFAOYSA-N |
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| XLogP | 6.33 |
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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 | 21 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 290.79 |
| LogP ≤ 5 | 6.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2-chloronaphthalene;naphthalene?
The IUPAC name of 2-chloronaphthalene;naphthalene (CID 159169098) is 2-chloronaphthalene;naphthalene.
What is the SMILES notation for 2-chloronaphthalene;naphthalene?
The canonical SMILES for 2-chloronaphthalene;naphthalene is Clc1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of 2-chloronaphthalene;naphthalene?
The InChIKey is KLLMZLVOKMNJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl.C10H8/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-6-10-8-4-3-7-9(10)5-1/h1-7H;1-8H.
What are the key properties of 2-chloronaphthalene;naphthalene?
2-chloronaphthalene;naphthalene has a molecular weight of 290.79 g/mol, XLogP of 6.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloronaphthalene;naphthalene is sourced from PubChem (CID 159169098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).