IJL
4-iodanylbenzamide
| Created: | 2022-03-22 |
| Last modified: | 2022-11-23 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 16 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 4-iodanylbenzamide |
| Systematic Name (OpenEye OEToolkits) | 4-iodanylbenzamide |
| Formula | C7 H6 I N O |
| Molecular Weight | 247.033 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(I)cc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N)I |
| Canonical SMILES | CACTVS | 3.385 | NC(=O)c1ccc(I)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N)I |
| InChI | InChI | 1.06 | InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | InChI | 1.06 | XRNBLQCAFWFFPM-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 77561 |
| CCDC/CSD | FOTDUP |
