V5R
Summary
| Name: | 5-acetamido-2-chloranyl-benzoic acid |
| Formula: | C9 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 213.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-acetamido-2-chloranyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H8ClNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | AMOFQIUOTAJRKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(Cl)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(Cl)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(c(c1)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(c(c1)C(=O)O)Cl |
