3F0
Summary
| Name: | 2-azanyl-3-fluoranyl-benzoic acid |
| Synonyms: | 3-fluoroanthranilate |
| Formula: | C7 H6 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 155.126 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-3-fluorobenzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-3-fluoranyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(C(=O)O)c1N |
| InChI | InChI | 1.03 | InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11) |
| InChIKey | InChI | 1.03 | KUHAYJJXXGBYBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(F)cccc1C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1c(F)cccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)F)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)F)N)C(=O)O |
