| CAS Number | 1391737-94-2 |
| Catalog Number | AG01B3ZU |
| Chemical Name | 5-Bromo-2-cyclopropyl-1,3-oxazole |
| IUPAC Name | 5-bromo-2-cyclopropyl-1,3-oxazole |
| InChI | InChI=1S/C6H6BrNO/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2 |
| InChI Key | DAGPJXRFHGZHPZ-UHFFFAOYSA-N |
| MDL Number | MFCD22682027 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | BrC1=CN=C(O1)C1CC1 |
| Synonyms | 5-bromo-2-cyclopropyl-1,3-oxazole,
1391737-94-2,
SCHEMBL19552141,
ZINC84324543,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.024g/mol |
| Monoisotopic Mass | 186.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number