| CAS Number | 1394041-36-1 |
| Catalog Number | AG019ZXF |
| Chemical Name | 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C10H10BrN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H |
| InChI Key | CHYFWLRYSMIHQA-UHFFFAOYSA-N |
| MDL Number | MFCD22375364 |
| Molecular Formula | C10H11BrClN3O |
| Molecular Weight | 304.5708 |
| SMILES | Cl.CC(C1ON=C(C2=CC=C(Br)C=C2)N=1)N |
| Synonyms | 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride,
1394041-36-1,
AKOS016907022,
MCULE-4475727694,
NE42275,
Z1416282916,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.572g/mol |
| Monoisotopic Mass | 302.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number