QR2
Summary
| Name: | 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one |
| Formula: | C9 H4 Cl F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.588 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16) |
| InChIKey | InChI | 1.03 | SBBOPUCCCOEMDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl |
