KWA
Summary
| Name: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine |
| Formula: | C12 H11 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 256.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.6 | 1-[5-[3,5-bis(chloranyl)phenyl]furan-2-yl]-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(cc(c1ccc(CNC)o1)cc(c2)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3 |
| InChIKey | InChI | 1.03 | KVRNDHJOFNNVSM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1oc(cc1)c2cc(Cl)cc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CNCc1oc(cc1)c2cc(Cl)cc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl |
