A1CSP
Summary
| Name: | (6R)-6-(3,5-dichlorophenyl)morpholin-3-one |
| Formula: | C10 H9 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 246.09 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6R)-6-(3,5-dichlorophenyl)morpholin-3-one |
| OpenEye OEToolkits | 3.1.0.0 | (6~{R})-6-[3,5-bis(chloranyl)phenyl]morpholin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NCC(OC1)c1cc(Cl)cc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9Cl2NO2/c11-7-1-6(2-8(12)3-7)9-4-13-10(14)5-15-9/h1-3,9H,4-5H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | CPHQGJPWIFPPTQ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)cc(c1)[C@@H]2CNC(=O)CO2 |
| SMILES | CACTVS | 3.385 | Clc1cc(Cl)cc(c1)[CH]2CNC(=O)CO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cc(cc1Cl)Cl)[C@@H]2CNC(=O)CO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cc(cc1Cl)Cl)C2CNC(=O)CO2 |
