| CAS Number | 1344017-74-8 |
| Catalog Number | AG01BVQZ |
| Chemical Name | 5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine |
| IUPAC Name | 5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C10H11N3O3/c1-14-7-3-6(4-8(5-7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13) |
| InChI Key | KLUOOFKSPLEHEP-UHFFFAOYSA-N |
| MDL Number | MFCD18867072 |
| Molecular Formula | C10H11N3O3 |
| Molecular Weight | 221.2126 |
| SMILES | COC1=CC(C2ON=C(N)N=2)=CC(OC)=C1 |
| Synonyms | 5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine,
1344017-74-8,
ZINC82539227,
AKOS013003727,
Z2694742536,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.216g/mol |
| Monoisotopic Mass | 221.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number