| CAS Number | 1807700-37-3 |
| Catalog Number | AG01E7PL |
| Chemical Name | 5-BROMO-2-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)ANILINE |
| IUPAC Name | 5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)aniline |
| InChI | InChI=1S/C9H9BrN2O/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5H,3-4,11H2 |
| InChI Key | WPFTVPYNAIZYET-UHFFFAOYSA-N |
| MDL Number | MFCD30751315 |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.0846 |
| SMILES | NC1=C(C2OCCN=2)C=CC(Br)=C1 |
| Synonyms | AKOS034045659,
5-Bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)aniline,
1807700-37-3,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.088g/mol |
| Monoisotopic Mass | 239.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number