| CAS Number | 2091043-87-5 |
| Catalog Number | AG01FQM8(AGN-PC-3H5P9E) |
| Chemical Name | Ethyl 4-bromo-2-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 4-bromo-2-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C7H8BrNO2S/c1-3-11-7(10)5-6(8)9-4(2)12-5/h3H2,1-2H3 |
| InChI Key | KJLDSGSEEORHLI-UHFFFAOYSA-N |
| MDL Number | MFCD32206353 |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.1129 |
| SMILES | BrC=1N=C(SC1C(=O)OCC)C |
| Synonyms | SCHEMBL15182513,
AS-70311,
ethyl 4-bromo-2-methyl-1,3-thiazole-5-carboxylate,
2091043-87-5,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.94591g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.12g/mol |
| Monoisotopic Mass | 248.94591g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number