KE0
Summary
| Name: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine |
| Formula: | C9 H11 Cl2 N |
| Formal charge: | 0 |
| Formula weight: | 204.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11Cl2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2 |
| InChIKey | InChI | 1.06 | AQZQHHAQSFFDCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCc1cc(Cl)cc(Cl)c1 |
| SMILES | CACTVS | 3.385 | NCCCc1cc(Cl)cc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Cl)Cl)CCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Cl)Cl)CCCN |
