| CAS Number | 1263378-59-1 |
| Catalog Number | AG01B4UC |
| Chemical Name | 5-Bromo-3-cyclopropyl-1,2-oxazole |
| IUPAC Name | 5-bromo-3-cyclopropyl-1,2-oxazole |
| InChI | InChI=1S/C6H6BrNO/c7-6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2 |
| InChI Key | GRTZMQMBGMFQFN-UHFFFAOYSA-N |
| MDL Number | MFCD11217150 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | BrC1ON=C(C2CC2)C=1 |
| Synonyms | 5-bromo-3-cyclopropyl-1,2-oxazole,
1263378-59-1,
ZINC88189359,
AKOS006308492,
5-BROMO-3-CYCLOPROPYL-ISOXAZOLE,
|
| 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 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number