A1E4R
Summary
| Name: | 4-(4-chlorophenyl)benzoic acid |
| Formula: | C13 H9 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 232.662 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-chlorophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
| InChIKey | InChI | 1.06 | FIMRRWLTRBEAOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(cc2)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(cc2)Cl)C(=O)O |
