| CAS Number | 1247659-74-0 |
| Catalog Number | AG01BEWU |
| Chemical Name | 5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H10ClN3O2/c1-6(9-13-14-10(12)16-9)15-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,14) |
| InChI Key | DMEBAUPNLYOXKK-UHFFFAOYSA-N |
| MDL Number | MFCD16724863 |
| Molecular Formula | C10H10ClN3O2 |
| Molecular Weight | 239.6583 |
| SMILES | CC(C1OC(N)=NN=1)OC1=CC(Cl)=CC=C1 |
| Synonyms | 5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine,
1247659-74-0,
AOD100578,
AKOS011509758,
NE33625,
5-(1-(3-chlorophenoxy)ethyl)-1,3,4-oxadiazol-2-amine,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.659g/mol |
| Monoisotopic Mass | 239.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number