| CAS Number | 1595737-86-2 |
| Catalog Number | AG01B7CI |
| Chemical Name | 2-bromo-4-tert-butyl-1,3-oxazole |
| IUPAC Name | 2-bromo-4-tert-butyl-1,3-oxazole |
| InChI | InChI=1S/C7H10BrNO/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3 |
| InChI Key | DXOBFQGZJDFOOG-UHFFFAOYSA-N |
| MDL Number | MFCD27940501 |
| Molecular Formula | C7H10BrNO |
| Molecular Weight | 204.0644 |
| SMILES | BrC=1OC=C(N1)C(C)(C)C |
| Synonyms | 2-Bromo-4-(tert-butyl)oxazole,
2-bromo-4-tert-butyl-1,3-oxazole,
1595737-86-2,
ZINC96529265,
AKOS026736280,
2-Bromo-4-tert-butyl-oxazole,
|
| 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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