NPB
Summary
| Name: | 3-NITROPHENYLBORONIC ACID |
| Formula: | C6 H6 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 166.927 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-nitrophenyl)boronic acid |
| OpenEye OEToolkits | 1.5.0 | (3-nitrophenyl)boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(B(O)O)ccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)c1cccc(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OB(O)c1cccc(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(c1cccc(c1)[N+](=O)[O-])(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(c1cccc(c1)[N+](=O)[O-])(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H |
| InChIKey | InChI | 1.03 | ZNRGSYUVFVNSAW-UHFFFAOYSA-N |
