| CAS Number | 1426958-50-0 |
| Catalog Number | AG009X3D(AGN-PC-0WA781) |
| Chemical Name | 3-(2-Fluorophenyl)-5-methyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7FN2O/c1-6-11-9(12-13-6)7-4-2-3-5-8(7)10/h2-5H,1H3 |
| InChI Key | HYUAHGMWRNVPOP-UHFFFAOYSA-N |
| MDL Number | MFCD23699515 |
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.1631 |
| SMILES | Cc1onc(n1)c1ccccc1F |
| Synonyms | 3-(2-Fluorophenyl)-5-methyl-1,2,4-oxadiazole,
1426958-50-0,
ZINC95496073,
V3226,
C9H7FN2O,
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| 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 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number