BPN
Summary
| Name: | PARANITROBENZYL ALCOHOL |
| Formula: | C7 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 153.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-nitrophenyl)methanol |
| OpenEye OEToolkits | 1.5.0 | (4-nitrophenyl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(cc1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OCc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CO)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CO)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2 |
| InChIKey | InChI | 1.03 | JKTYGPATCNUWKN-UHFFFAOYSA-N |
