| CAS Number | 1914946-33-0 |
| Catalog Number | AG01EG3H |
| Chemical Name | Ethyl 5-bromoisoxazole-3-carboxylate |
| IUPAC Name | ethyl 5-bromo-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2H2,1H3 |
| InChI Key | YRDFTVOAGOTYJF-UHFFFAOYSA-N |
| MDL Number | MFCD32214869 |
| Molecular Formula | C6H6BrNO3 |
| Molecular Weight | 220.0207 |
| SMILES | CCOC(=O)C1=NOC(=C1)Br |
| Synonyms | Ethyl 5-bromoisoxazole-3-carboxylate,
1914946-33-0,
SCHEMBL17723606,
AKOS032946327,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.022g/mol |
| Monoisotopic Mass | 218.953g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number