A1IAV
Summary
| Name: | 2-azanyl-5-(4-fluorophenyl)benzoic acid |
| Synonyms: | 2-amino-5-(4-fluorophenyl)benzoic acid |
| Formula: | C13 H10 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-(4-fluorophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H10FNO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H,16,17) |
| InChIKey | InChI | 1.06 | LABCZPMWKVNMCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1C(O)=O)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1C(O)=O)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(c(c2)C(=O)O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(c(c2)C(=O)O)N)F |
