BBN
Summary
| Name: | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide |
| Formula: | C8 H8 B N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.979 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 1-oxidanyl-2,3,1-benzodiazaborinine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | B2(c1c(cccc1)C=NN2C(N)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8BN3O2/c10-8(13)12-9(14)7-4-2-1-3-6(7)5-11-12/h1-5,14H,(H2,10,13) |
| InChIKey | InChI | 1.03 | CNLKBXXRSGCDQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)N1N=Cc2ccccc2B1O |
| SMILES | CACTVS | 3.385 | NC(=O)N1N=Cc2ccccc2B1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B1(c2ccccc2C=NN1C(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | B1(c2ccccc2C=NN1C(=O)N)O |
