W6B
Summary
| Name: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid |
| Formula: | C19 H13 Cl F N O2 |
| Formal charge: | 0 |
| Formula weight: | 341.763 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24) |
| InChIKey | InChI | 1.06 | SQBLSUWMJNVDPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(cccc2Cl)Nc3ccc(cc3C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(cccc2Cl)Nc3ccc(cc3C(=O)O)F |
