JNV
Summary
| Name: | 1-(3,4-dichlorophenyl)propan-2-one |
| Formula: | C9 H8 Cl2 O |
| Formal charge: | 0 |
| Formula weight: | 203.065 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3,4-dichlorophenyl)propan-2-one |
| OpenEye OEToolkits | 2.0.6 | 1-(3,4-dichlorophenyl)propan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(CC(C)=O)ccc1Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3 |
| InChIKey | InChI | 1.03 | AJUAASWQUWIMHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Cc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)Cc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Cc1ccc(c(c1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Cc1ccc(c(c1)Cl)Cl |
