KZ6
Summary
| Name: | 4-iodobenzoic acid |
| Formula: | C7 H5 I O2 |
| Formal charge: | 0 |
| Formula weight: | 248.018 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-iodobenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-iodanylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(I)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.03 | GHICCUXQJBDNRN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(I)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(I)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)I |
