3FK
Summary
| Name: | (2R)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid |
| Formula: | C10 H11 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 248.106 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)C(C(=O)O)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H11Cl2NO2/c1-13(2)9(10(14)15)6-3-7(11)5-8(12)4-6/h3-5,9H,1-2H3,(H,14,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | FBZPIHFBJZHLPX-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@@H](C(O)=O)c1cc(Cl)cc(Cl)c1 |
| SMILES | CACTVS | 3.385 | CN(C)[CH](C(O)=O)c1cc(Cl)cc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)C(c1cc(cc(c1)Cl)Cl)C(=O)O |
