5P3
Summary
| Name: | 5-chloro-4-hydroxybiphenyl-3-carboxylic acid |
| Synonyms: | 5-Phenyl,3-chlorosalicylic acid |
| Formula: | C13 H9 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 248.662 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-4-hydroxybiphenyl-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 3-chloro-2-hydroxy-5-phenyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(C(=O)O)c1O)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(cc(Cl)c1O)c2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cc(cc(Cl)c1O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17) |
| InChIKey | InChI | 1.03 | RJMZIUFNDNYWDU-UHFFFAOYSA-N |
