P1U
Summary
| Name: | 5-(4-chlorophenyl)furan-2-carboxylic acid |
| Formula: | C11 H7 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 222.624 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(4-chlorophenyl)furan-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(4-chlorophenyl)furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(o1)c1ccc(Cl)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14) |
| InChIKey | InChI | 1.03 | XIPQHWUSDHTXOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(cc1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1oc(cc1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(o2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(o2)C(=O)O)Cl |
