RF2
Summary
| Name: | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole |
| Formula: | C14 H10 F N3 |
| Formal charge: | 0 |
| Formula weight: | 239.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole |
| OpenEye OEToolkits | 1.5.0 | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc3ccc(c2nnc(c1ccccc1)n2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3 |
| SMILES | CACTVS | 3.341 | Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F |
| InChI | InChI | 1.03 | InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18) |
| InChIKey | InChI | 1.03 | KMGPJKOKSYGMJD-UHFFFAOYSA-N |
