6M9
Summary
| Name: | 2,1-benzoxaborol-1(3H)-ol |
| Formula: | C7 H7 B O2 |
| Formal charge: | 0 |
| Formula weight: | 133.94 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,1-benzoxaborol-1(3H)-ol |
| OpenEye OEToolkits | 2.0.4 | 1-oxidanyl-3~{H}-2,1-benzoxaborole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21B(OCc1cccc2)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2 |
| InChIKey | InChI | 1.03 | XOQABDOICLHPIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1OCc2ccccc12 |
| SMILES | CACTVS | 3.385 | OB1OCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | B1(c2ccccc2CO1)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | B1(c2ccccc2CO1)O |
