| CAS Number | 1314961-74-4 |
| Catalog Number | AG01DV90 |
| Chemical Name | 5-bromo-3-ethyl-1,2-oxazole |
| IUPAC Name | 5-bromo-3-ethyl-1,2-oxazole |
| InChI | InChI=1S/C5H6BrNO/c1-2-4-3-5(6)8-7-4/h3H,2H2,1H3 |
| InChI Key | WANFRXIDECYPGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11216978 |
| Molecular Formula | C5H6BrNO |
| Molecular Weight | 176.0112 |
| SMILES | CCC1=NOC(Br)=C1 |
| Synonyms | 5-BROMO-3-ETHYL-ISOXAZOLE,
1314961-74-4,
5-bromo-3-ethyl-1,2-oxazole,
AKOS006307973,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.013g/mol |
| Monoisotopic Mass | 174.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number