| CAS Number | 345994-68-5 |
| Catalog Number | AG01A2Z3 |
| Chemical Name | 2-(2-Fluorophenyl)-5-methyl-1,3,4-oxadiazole |
| IUPAC Name | 2-(2-fluorophenyl)-5-methyl-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H7FN2O/c1-6-11-12-9(13-6)7-4-2-3-5-8(7)10/h2-5H,1H3 |
| InChI Key | PWMZJXPHADCOBS-UHFFFAOYSA-N |
| MDL Number | MFCD01617922 |
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.1631 |
| SMILES | CC1OC(C2=C(F)C=CC=C2)=NN=1 |
| Synonyms | 2-(2-fluorophenyl)-5-methyl-1,3,4-oxadiazole,
345994-68-5,
SCHEMBL13393578,
ZINC59488126,
AKOS021881648,
MCULE-9324653771,
NE40479,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.166g/mol |
| Monoisotopic Mass | 178.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number