92N
Summary
| Name: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde |
| Formula: | C14 H11 B O4 |
| Formal charge: | 0 |
| Formula weight: | 254.046 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11BO4/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-8,17H,9H2 |
| InChIKey | InChI | 1.03 | HSAPOLFXQLNVEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1OCc2cc(Oc3ccc(C=O)cc3)ccc12 |
| SMILES | CACTVS | 3.385 | OB1OCc2cc(Oc3ccc(C=O)cc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O |
