| CAS Number | 1391739-84-6 |
| Catalog Number | AG01DVZX |
| Chemical Name | 5-bromo-2-(propan-2-yl)-1,3-oxazole |
| IUPAC Name | 5-bromo-2-propan-2-yl-1,3-oxazole |
| InChI | InChI=1S/C6H8BrNO/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3 |
| InChI Key | GKCPEJXMKUQTOV-UHFFFAOYSA-N |
| MDL Number | MFCD22682026 |
| Molecular Formula | C6H8BrNO |
| Molecular Weight | 190.0378 |
| SMILES | CC(C1OC(Br)=CN=1)C |
| Synonyms | SCHEMBL15481026,
5-BROMO-2-ISOPROPYLOXAZOLE,
AKOS023413281,
1391739-84-6,
|
| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.04g/mol |
| Monoisotopic Mass | 188.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number