| CAS Number | 84654-29-5 |
| Catalog Number | AG008H0G(AGN-PC-00L0J7) |
| Chemical Name | Ethyl 5-(bromomethyl)isoxazole-3-carboxylate |
| IUPAC Name | ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C7H8BrNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3 |
| InChI Key | WGYWHPXMHCTBIS-UHFFFAOYSA-N |
| MDL Number | MFCD08234960 |
| Molecular Formula | C7H8BrNO3 |
| Molecular Weight | 234.0473 |
| SMILES | CCOC(=O)c1noc(c1)CBr |
| Synonyms | 84654-29-5,
ethyl 5-(bromomethyl)isoxazole-3-carboxylate,
5-bromomethylisoxazole-3-carboxylic acid ethyl ester,
3-Isoxazolecarboxylicacid, 5-(bromomethyl)-, ethyl ester,
ETHYL 5-(BROMOMETHYL)-1,2-OXAZOLE-3-CARBOXYLATE,
SCHEMBL892010,
AMOT0320,
CTK5F2861,
DTXSID50519834,
WGYWHPXMHCTBIS-UHFFFAOYSA-N,
ZINC39401342,
AM85924,
TC-070024,
A1-09821,
5-Bromomethyl-isoxazole-3-carboxylic acid ethyl ester,
3-Isoxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.049g/mol |
| Monoisotopic Mass | 232.969g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number