NZG
Summary
| Name: | 3-(acetylamino)-4-fluorobenzoic acid |
| Formula: | C9 H8 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 197.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(acetylamino)-4-fluorobenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-acetamido-4-fluoranyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C)=O)c1cc(C(O)=O)ccc1F |
| InChI | InChI | 1.03 | InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | VOLGFCKUDWAJQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc(ccc1F)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc(ccc1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(ccc1F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(ccc1F)C(=O)O |
