J4W
Summary
| Name: | tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate |
| Formula: | C12 H16 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 249.071 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate |
| OpenEye OEToolkits | 2.0.6 | ~{tert}-butyl ~{N}-(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc2c(cc1)COB2O)OC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15) |
| InChIKey | InChI | 1.03 | PHTYIDJNPFQYPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1ccc2COB(O)c2c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1ccc2COB(O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O |
