| CAS Number | 937620-39-8 |
| Catalog Number | AG019WHJ |
| Chemical Name | 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
| IUPAC Name | 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
| InChI | InChI=1S/C12H11FN2O3/c1-7-6-8(2-3-9(7)13)12-14-10(18-15-12)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17) |
| InChI Key | GHAQDGXDFQLUJU-UHFFFAOYSA-N |
| MDL Number | MFCD09051647 |
| Molecular Formula | C12H11FN2O3 |
| Molecular Weight | 250.2257 |
| SMILES | CC1=C(F)C=CC(C2N=C(CCC(O)=O)ON=2)=C1 |
| Synonyms | 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid,
937620-39-8,
AC1Q2FHJ,
CTK7J3233,
ZINC22153939,
AKOS000135232,
MCULE-1443523601,
NE30347,
EN300-52001,
Z234893675,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.229g/mol |
| Monoisotopic Mass | 250.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number