VI6
Summary
| Name: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole |
| Formula: | C16 H14 B F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 342.109 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14BFN3O4/c18-12-2-5-15(6-3-12)24-10-13-8-21(20-19-13)14-4-1-11-9-25-17(22,23)16(11)7-14/h1-8,22-23H,9-10H2 |
| InChIKey | InChI | 1.06 | WKHJFJHPQIUSQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B]1(O)OCc2ccc(cc12)n3cc(COc4ccc(F)cc4)nn3 |
| SMILES | CACTVS | 3.385 | O[B]1(O)OCc2ccc(cc12)n3cc(COc4ccc(F)cc4)nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)n3cc(nn3)COc4ccc(cc4)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)n3cc(nn3)COc4ccc(cc4)F)(O)O |
