| CAS Number | 343771-07-3 |
| Catalog Number | AG00I6SL(AGN-PC-0WOI22) |
| Chemical Name | 5-(3-Fluorophenyl)-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(3-fluorophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7FN2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h2-5H,1H3 |
| InChI Key | LXBQVGOCMHOZCF-UHFFFAOYSA-N |
| MDL Number | MFCD28143969 |
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.1631 |
| SMILES | Fc1cccc(c1)c1onc(n1)C |
| Synonyms | 5-(3-fluorophenyl)-3-methyl-1,2,4-oxadiazole,
343771-07-3,
SCHEMBL10094737,
ZINC39259552,
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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 |
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Certificate of Analysis
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