XZO
Summary
| Name: | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione |
| Formula: | C10 H7 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 244.074 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione |
| OpenEye OEToolkits | 2.0.7 | 1-[3,5-bis(chloranyl)phenyl]pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2 |
| InChIKey | InChI | 1.06 | CFZLNRGUBAVQNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O |
| SMILES | CACTVS | 3.385 | Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Cl)Cl)N2C(=O)CCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Cl)Cl)N2C(=O)CCC2=O |
