BH6
Summary
| Name: | {[(2-chlorobenzoyl)amino]methyl}boronic acid |
| Formula: | C8 H9 B Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 213.426 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(2-chlorobenzoyl)amino]methyl}boronic acid |
| OpenEye OEToolkits | 1.6.1 | [(2-chlorophenyl)carbonylamino]methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1Cl)NCB(O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | OB(O)CNC(=O)c1ccccc1Cl |
| SMILES | CACTVS | 3.352 | OB(O)CNC(=O)c1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | B(CNC(=O)c1ccccc1Cl)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | B(CNC(=O)c1ccccc1Cl)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12) |
| InChIKey | InChI | 1.03 | LXIUYRUEMMFAQV-UHFFFAOYSA-N |
