| CAS Number | 1254962-88-3 |
| Catalog Number | AG01EL5U |
| Chemical Name | 4-Isoxazolecarboxylic acid, 3-bromo-5-methyl-, ethyl ester |
| IUPAC Name | ethyl 3-bromo-5-methyl-1,2-oxazole-4-carboxylate |
| InChI | InChI=1S/C7H8BrNO3/c1-3-11-7(10)5-4(2)12-9-6(5)8/h3H2,1-2H3 |
| InChI Key | LURPTDYVMCBBPQ-UHFFFAOYSA-N |
| MDL Number | MFCD25949305 |
| Molecular Formula | C7H8BrNO3 |
| Molecular Weight | 234.0473 |
| SMILES | BrC1=NOC(=C1C(=O)OCC)C |
| Synonyms | 1254962-88-3,
Ethyl 3-bromo-5-methylisoxazole-4-carboxylate,
SCHEMBL286027,
3-Bromo-5-methyl-isoxazole-4-carboxylic acid ethyl ester,
LURPTDYVMCBBPQ-UHFFFAOYSA-N,
ZINC95098294,
ethyl 3-bromo-5-methyl-1,2-oxazole-4-carboxylate,
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| Complexity | 176 |
| 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 | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number