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Chemical Molecules
Molecule Details
| Molecule ID | MOL59 | ||
| Compound Name | Octadecyl chloride | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Octadecyl chloride |
| Synonym Name | 1-Chlorooctadecane |
| CAS ID | 3386-33-2 |
| IUPAC Name | 1-chlorooctadecane |
| Molecular Formula | C18H37Cl |
| Chemical Safety | Irritant |
| External Database ID |
18815 |
| Inchi | InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 |
| INCHI Key | VUQPJRPDRDVQMN-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCl |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
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Chemical & Physical Properties
| Molecular Weight | 288.9 g/mol |
| LogP (Octanol-Water) | 8.896 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 16 |
| Topological Surface Area | 0 |
| Heavy Atom Count | 19 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | Standard polar: 2307, 2312, 2306, 2294, 2288 |
| Physical Description |
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Spectra Information
Biological Activities
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