IOB
Summary
| Name: | 3-IODO-BENZYL ALCOHOL |
| Formula: | C7 H7 I O |
| Formal charge: | 0 |
| Formula weight: | 234.034 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-iodophenyl)methanol |
| OpenEye OEToolkits | 1.5.0 | (3-iodophenyl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(ccc1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCc1cccc(I)c1 |
| SMILES | CACTVS | 3.341 | OCc1cccc(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)I)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)I)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | InChI | 1.03 | QGCCNWSXJHGUNL-UHFFFAOYSA-N |
