UK2
Summary
| Name: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron |
| Formula: | C7 H8 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 180.954 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-methyl-3-nitro-phenyl)boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3 |
| InChIKey | InChI | 1.03 | OASVXBRTNVFKFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1[N+]([O-])=O)B(O)O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1[N+]([O-])=O)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O |
