A1CXI
Summary
| Name: | (1P)-2,2',3,5',6-pentachloro-1,1'-biphenyl |
| Formula: | C12 H5 Cl5 |
| Formal charge: | 0 |
| Formula weight: | 326.433 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1P)-2,2',3,5',6-pentachloro-1,1'-biphenyl |
| OpenEye OEToolkits | 3.1.0.0 | 2-[2,5-bis(chloranyl)phenyl]-1,3,4-tris(chloranyl)benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1c(c2cc(Cl)ccc2Cl)c(Cl)ccc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H |
| InChIKey | InChI | 1.06 | GXNNLIMMEXHBKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Cl)c(c1)c2c(Cl)ccc(Cl)c2Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(Cl)c(c1)c2c(Cl)ccc(Cl)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1Cl)c2c(ccc(c2Cl)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1Cl)c2c(ccc(c2Cl)Cl)Cl)Cl |
