LH8
Summary
| Name: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide |
| Formula: | C15 H15 B N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.103 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H15BN2O2/c17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16(19)20-14/h1-8,14,19H,9H2,(H3,17,18)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | CSHJPLOWTAYIGQ-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(cc1)[C@@H]2Cc3ccccc3B(O)O2 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(cc1)[CH]2Cc3ccccc3B(O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2CC(O1)c3ccc(cc3)C(=N)N)O |
