| CAS Number | 937629-16-8 |
| Catalog Number | AG01ELA7 |
| Chemical Name | 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile |
| IUPAC Name | 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile |
| InChI | InChI=1S/C10H6BrN3O/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)15-14-10/h1-4H,5H2 |
| InChI Key | VLCIWZOZDPHMGD-UHFFFAOYSA-N |
| MDL Number | MFCD09051055 |
| Molecular Formula | C10H6BrN3O |
| Molecular Weight | 264.0781 |
| SMILES | BrC1=CC=C(C2N=C(CC#N)ON=2)C=C1 |
| Synonyms | ZINC22151335,
AKOS000134934,
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile,
937629-16-8,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.96942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.08g/mol |
| Monoisotopic Mass | 262.96942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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