| CAS Number | 59562-68-4 |
| Catalog Number | AG00EVWR(AGN-PC-0NIFWV) |
| Chemical Name | 5-(4-Fluorophenyl)-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(4-fluorophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7FN2O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,1H3 |
| InChI Key | YTSHBDOOEVBVHX-UHFFFAOYSA-N |
| MDL Number | MFCD09261229 |
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.1631 |
| SMILES | Fc1ccc(cc1)c1onc(n1)C |
| Synonyms | 59562-68-4,
5-(4-Fluorophenyl)-3-methyl-1,2,4-oxadiazole,
5-(4-FLUORO-PHENYL)-3-METHYL-[1,2,4]OXADIAZOLE,
1,2,4-Oxadiazole, 5-(4-fluorophenyl)-3-methyl-,
SCHEMBL4668357,
CTK5B0137,
DTXSID80485730,
YTSHBDOOEVBVHX-UHFFFAOYSA-N,
ZINC39203745,
AKOS006282369,
MB07185,
5- -3-methyl-[1,2,4]oxadiazole,
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| Complexity | 171 |
| 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