| CAS Number | 1105193-69-8 |
| Catalog Number | AG0191MW(AGN-PC-0WBQ9F) |
| Chemical Name | 5-(7-Methoxybenzofuran-2-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C11H9N3O3/c1-15-7-4-2-3-6-5-8(16-9(6)7)10-13-14-11(12)17-10/h2-5H,1H3,(H2,12,14) |
| InChI Key | FOPCPNUYUBOTIL-UHFFFAOYSA-N |
| MDL Number | MFCD11986945 |
| Molecular Formula | C11H9N3O3 |
| Molecular Weight | 231.2075 |
| SMILES | COC1=C2C(C=C(C3OC(N)=NN=3)O2)=CC=C1 |
| Synonyms | 5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine,
1105193-69-8,
ZINC26423847,
AKOS005207843,
MCULE-2747086517,
L-2971,
F2182-0007,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.211g/mol |
| Monoisotopic Mass | 231.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number