FIC
Summary
| Name: | 5-fluoroindole-2-carboxylic acid |
| Formula: | C9 H6 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-fluoro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-fluoro-1H-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1cc2c(cc1)nc(c2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1[nH]c2ccc(F)cc2c1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1[nH]c2ccc(F)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)cc([nH]2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)cc([nH]2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
| InChIKey | InChI | 1.03 | WTXBRZCVLDTWLP-UHFFFAOYSA-N |
