0QE
chloromethane
| Created: | 2008-12-08 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 5 |
| Chiral Atom Count | 0 |
| Bond Count | 4 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | chloromethane |
| Synonyms | Chloro Methyl group |
| Systematic Name (OpenEye OEToolkits) | chloromethane |
| Formula | C H3 Cl |
| Molecular Weight | 50.488 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC |
| SMILES | CACTVS | 3.370 | CCl |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCl |
| Canonical SMILES | CACTVS | 3.370 | CCl |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CCl |
| InChI | InChI | 1.03 | InChI=1S/CH3Cl/c1-2/h1H3 |
| InChIKey | InChI | 1.03 | NEHMKBQYUWJMIP-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6327 |
| ChEMBL | CHEMBL117545 |
| ChEBI | CHEBI:36014 |
| CCDC/CSD | CLMETH, CLMETH03, CLMETH02, CLMETH04, FOGYIL, CLMETH01, ILUFIG01, ILUFIG |














