| CAS Number | 823787-15-1 |
| Catalog Number | AG005D72(AGN-PC-0H4V8R) |
| Chemical Name | 5-Isoxazolecarboxylic acid, 3-bromo-4,5-dihydro-, ethyl ester |
| IUPAC Name | ethyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate |
| InChI | InChI=1S/C6H8BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h4H,2-3H2,1H3 |
| InChI Key | OXBIKTVOBKHIME-UHFFFAOYSA-N |
| MDL Number | MFCD22690275 |
| Molecular Formula | C6H8BrNO3 |
| Molecular Weight | 222.0366 |
| SMILES | BrC1=NOC(C1)C(=O)OCC |
| Synonyms | 823787-15-1,
ETHYL 3-BROMO-4,5-DIHYDROISOXAZOLE-5-CARBOXYLATE,
5-Isoxazolecarboxylic acid, 3-bromo-4,5-dihydro-, ethyl ester,
Ethyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate,
SCHEMBL473028,
CTK3E0337,
DTXSID30735595,
OXBIKTVOBKHIME-UHFFFAOYSA-N,
MFCD22690275,
AS-39030,
DA-03097,
FT-0708965,
3-Bromo-2-isoxazoline-5-carboxylic acid ethyl ester,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.038g/mol |
| Monoisotopic Mass | 220.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number