5H6
Summary
| Name: | 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid |
| Formula: | C8 H4 Cl N O3 S |
| Formal charge: | 0 |
| Formula weight: | 229.64 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 5-(5-chloranylthiophen-2-yl)-1,2-oxazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c1cc(C(O)=O)no1)sc(c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12) |
| InChIKey | InChI | 1.03 | JMQBVJRNJFBDFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(on1)c2sc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(on1)c2sc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(sc1c2cc(no2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(sc1c2cc(no2)C(=O)O)Cl |
