8GB
Summary
| Name: | 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone |
| Formula: | C9 H8 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 219.065 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8Cl2O2/c1-5(12)8-3-7(11)2-6(4-10)9(8)13/h2-3,13H,4H2,1H3 |
| InChIKey | InChI | 1.03 | WWNJCGKNKZXVIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc(Cl)cc(CCl)c1O |
| SMILES | CACTVS | 3.385 | CC(=O)c1cc(Cl)cc(CCl)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1cc(cc(c1O)CCl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1cc(cc(c1O)CCl)Cl |
