2WR
Summary
| Name: | (2-carbamoyl-5-fluorophenoxy)acetic acid |
| Formula: | C9 H8 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 213.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2-carbamoyl-5-fluorophenoxy)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(2-aminocarbonyl-5-fluoranyl-phenoxy)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)COc1cc(F)ccc1C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H8FNO4/c10-5-1-2-6(9(11)14)7(3-5)15-4-8(12)13/h1-3H,4H2,(H2,11,14)(H,12,13) |
| InChIKey | InChI | 1.03 | PCNZVPHJJYWUKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(F)cc1OCC(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(F)cc1OCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)OCC(=O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)OCC(=O)O)C(=O)N |
