| CAS Number | 1311314-17-6 |
| Catalog Number | AG01AH5G |
| Chemical Name | 1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine hydrochloride |
| IUPAC Name | 1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H12BrN3O.ClH/c1-2-9(13)10-14-11(16-15-10)7-4-3-5-8(12)6-7;/h3-6,9H,2,13H2,1H3;1H |
| InChI Key | UENAETWQVVKMHP-UHFFFAOYSA-N |
| MDL Number | MFCD18483207 |
| Molecular Formula | C11H13BrClN3O |
| Molecular Weight | 318.5974 |
| SMILES | Cl.CCC(C1N=C(C2=CC(Br)=CC=C2)ON=1)N |
| Synonyms | 1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine hydrochloride,
1311314-17-6,
MCULE-3424458586,
NE52603,
EN300-73755,
Z1266854971,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.599g/mol |
| Monoisotopic Mass | 316.993g/mol |
| Rotatable Bond Count | 3 |
| 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