| CAS Number | 1171931-12-6 |
| Catalog Number | AG01B6VT |
| Chemical Name | 2-(3,5-Dimethoxyphenyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C10H10N2O3/c1-13-8-3-7(4-9(5-8)14-2)10-12-11-6-15-10/h3-6H,1-2H3 |
| InChI Key | OUKILQBDRRZIMQ-UHFFFAOYSA-N |
| MDL Number | MFCD15204166 |
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.1980 |
| SMILES | COC1=CC(C2OC=NN=2)=CC(OC)=C1 |
| Synonyms | 2-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole,
1171931-12-6,
ODZ100098,
ZINC40350694,
AKOS016341527,
BB 0238349,
2-(3,5-Dimethoxy-phenyl)-[1,3,4]oxadiazole,
Z55670860,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.201g/mol |
| Monoisotopic Mass | 206.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number