| CAS Number | 1782807-35-5 |
| Catalog Number | AG01DYXB |
| Chemical Name | 5-bromo-3-tert-butyl-1,2-oxazole |
| IUPAC Name | 5-bromo-3-tert-butyl-1,2-oxazole |
| InChI | InChI=1S/C7H10BrNO/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3 |
| InChI Key | HLMZWFPATZQURD-UHFFFAOYSA-N |
| MDL Number | MFCD11216997 |
| Molecular Formula | C7H10BrNO |
| Molecular Weight | 204.0644 |
| SMILES | CC(C1=NOC(Br)=C1)(C)C |
| Synonyms | 5-bromo-3-tert-butyl-1,2-oxazole,
1782807-35-5,
AKOS024076020,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.067g/mol |
| Monoisotopic Mass | 202.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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