KM6
Summary
Name: | 2-(4-chlorophenyl)-1,3,4-oxadiazole |
Formula: | C8 H5 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 180.591 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-(4-chlorophenyl)-1,3,4-oxadiazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H |
InChIKey | InChI | 1.06 | AYUDXVQMLKGODN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)c2ocnn2 |
SMILES | CACTVS | 3.385 | Clc1ccc(cc1)c2ocnn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnco2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnco2)Cl |