| CAS Number | 36958-62-0 |
| Catalog Number | AG0077B8(AGN-PC-0NHZYG) |
| Chemical Name | 5-(Bromomethyl)-3-ethylisoxazole |
| IUPAC Name | 5-(bromomethyl)-3-ethyl-1,2-oxazole |
| InChI | InChI=1S/C6H8BrNO/c1-2-5-3-6(4-7)9-8-5/h3H,2,4H2,1H3 |
| InChI Key | YCZVNYPFSNGXGJ-UHFFFAOYSA-N |
| MDL Number | MFCD19665211 |
| Molecular Formula | C6H8BrNO |
| Molecular Weight | 190.0378 |
| SMILES | CCC1=NOC(CBr)=C1 |
| Synonyms | Isoxazole, 5-(bromomethyl)-3-ethyl-,
36958-62-0,
5-(Bromomethyl)-3-ethylisoxazole,
3-ethyl-5-bromomethylisoxazole,
SCHEMBL11454209,
CTK1B5983,
DTXSID90479206,
AKOS013477563,
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| Complexity | 89.1 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number