H9E
Summary
| Name: | [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
| Formula: | C9 H9 B Br O3 S |
| Formal charge: | -1 |
| Formula weight: | 287.946 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9BBrO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5H2/q-1 |
| InChIKey | InChI | 1.03 | YBCAXTUNRJBXIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B-](O)(O)c1sc2ccc(CBr)cc2c1 |
| SMILES | CACTVS | 3.385 | O[B-](O)(O)c1sc2ccc(CBr)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-](c1cc2cc(ccc2s1)CBr)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-](c1cc2cc(ccc2s1)CBr)(O)(O)O |
