| CAS Number | 1341534-14-2 |
| Catalog Number | AG01AFLW(AGN-PC-0WO3R9) |
| Chemical Name | 1-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-ol |
| IUPAC Name | 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol |
| InChI | InChI=1S/C10H9FN2O2/c1-6(14)10-12-9(13-15-10)7-3-2-4-8(11)5-7/h2-6,14H,1H3 |
| InChI Key | JAKUXLYGBOOPHJ-UHFFFAOYSA-N |
| MDL Number | MFCD18335737 |
| Molecular Formula | C10H9FN2O2 |
| Molecular Weight | 208.1891 |
| SMILES | CC(C1ON=C(C2=CC(F)=CC=C2)N=1)O |
| Synonyms | 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-ol,
1341534-14-2,
1568024-49-6,
AKOS012650439,
NE41953,
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-ol,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.192g/mol |
| Monoisotopic Mass | 208.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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