R9O
Summary
| Name: | 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid |
| Formula: | C11 H8 Cl N O3 S |
| Formal charge: | 0 |
| Formula weight: | 269.704 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(2-chloranylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1csc(COc2ccccc2Cl)n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H8ClNO3S/c12-7-3-1-2-4-9(7)16-5-10-13-8(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
| InChIKey | InChI | 1.06 | BQYZYDJLVVVRCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(COc2ccccc2Cl)n1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1csc(COc2ccccc2Cl)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCc2nc(cs2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCc2nc(cs2)C(=O)O)Cl |
