| CAS Number | 99055-83-1 |
| Catalog Number | AG019SWN(AGN-PC-0NHNGE) |
| Chemical Name | 4-(5-Ethyl-1,3,4-oxadiazol-2-yl)aniline |
| IUPAC Name | 4-(5-ethyl-1,3,4-oxadiazol-2-yl)aniline |
| InChI | InChI=1S/C10H11N3O/c1-2-9-12-13-10(14-9)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3 |
| InChI Key | WJPFPDSWCZPQPI-UHFFFAOYSA-N |
| MDL Number | MFCD01599171 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | CCC1OC(C2=CC=C(N)C=C2)=NN=1 |
| Synonyms | 4-(5-ethyl-1,3,4-oxadiazol-2-yl)aniline,
99055-83-1,
SCHEMBL7260633,
ZINC26421434,
AKOS005060927,
MCULE-2479058217,
NE29415,
BB 0238390,
4-(5-Ethyl-[1,3,4]oxadiazol-2-yl)-phenylamine,
F2135-0752,
Z1272670423,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.218g/mol |
| Monoisotopic Mass | 189.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number