XQJ
Summary
| Name: | 1-iodo-3-methylbenzene |
| Synonyms: | 3-iodotoluene |
| Formula: | C7 H7 I |
| Formal charge: | 0 |
| Formula weight: | 218.035 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-iodo-3-methylbenzene |
| OpenEye OEToolkits | 2.0.7 | 1-iodanyl-3-methyl-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(ccc1)I |
| InChI | InChI | 1.03 | InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | VLCPISYURGTGLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(I)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)I |
