| CAS Number | 1781624-27-8 |
| Catalog Number | AG01DYWM |
| Chemical Name | 5-bromo-4-phenyl-1,2-oxazole |
| IUPAC Name | 5-bromo-4-phenyl-1,2-oxazole |
| InChI | InChI=1S/C9H6BrNO/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H |
| InChI Key | KCBABCRJBWXRCB-UHFFFAOYSA-N |
| MDL Number | MFCD28532594 |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.054 |
| SMILES | BrC1=C(C2=CC=CC=C2)C=NO1 |
| Synonyms | 5-bromo-4-phenyl-1,2-oxazole,
1781624-27-8,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.057g/mol |
| Monoisotopic Mass | 222.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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