R8P
Summary
| Name: | (1S)-1-(4-nitrophenyl)ethan-1-ol |
| Formula: | C8 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 167.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(4-nitrophenyl)ethan-1-ol |
| OpenEye OEToolkits | 2.0.6 | (1~{S})-1-(4-nitrophenyl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1[N+]([O-])=O)C(C)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | CRJFHXYELTYDSG-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | C[CH](O)c1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccc(cc1)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccc(cc1)[N+](=O)[O-])O |
