| CAS Number | 1285394-07-1 |
| Catalog Number | AG01B18Q |
| Chemical Name | 3-(2-Bromophenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(2-bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C12H12BrN3O/c13-9-5-2-1-4-8(9)11-15-12(17-16-11)10-6-3-7-14-10/h1-2,4-5,10,14H,3,6-7H2 |
| InChI Key | CWQGBRIQRGZEKN-UHFFFAOYSA-N |
| MDL Number | MFCD16506273 |
| Molecular Formula | C12H12BrN3O |
| Molecular Weight | 294.1472 |
| SMILES | BrC1=C(C2N=C(C3NCCC3)ON=2)C=CC=C1 |
| Synonyms | 3-(2-bromophenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole,
1285394-07-1,
AKOS010968536,
MCULE-6817570842,
NE38275,
Z1801361925,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.152g/mol |
| Monoisotopic Mass | 293.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number