XER
Summary
| Name: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid |
| Formula: | C7 H2 Cl F O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 236.671 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-2-fluoranyl-thieno[3,2-b]thiophene-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc2sc(c(Cl)c2s1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11) |
| InChIKey | InChI | 1.06 | UXMBSHHPPVOPJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2cc(F)sc2c1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2cc(F)sc2c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(c(c(s2)C(=O)O)Cl)sc1F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(c(c(s2)C(=O)O)Cl)sc1F |
