XZX
Summary
| Name: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide |
| Formula: | C9 H9 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 234.079 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[3,5-bis(chloranyl)phenyl]-2-oxidanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(NC(=O)C(C)O)cc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | ZJXPSNBSBSJSOE-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 |
| SMILES | CACTVS | 3.385 | C[CH](O)C(=O)Nc1cc(Cl)cc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)Nc1cc(cc(c1)Cl)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1cc(cc(c1)Cl)Cl)O |
