| CAS Number | 1408235-82-4 |
| Catalog Number | AG01BEI3 |
| Chemical Name | methyl 2-bromo-5-cyclopropyl-1,3-thiazole-4-carboxylate |
| IUPAC Name | methyl 2-bromo-5-cyclopropyl-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C8H8BrNO2S/c1-12-7(11)5-6(4-2-3-4)13-8(9)10-5/h4H,2-3H2,1H3 |
| InChI Key | GEGKZGQVEAOFTB-UHFFFAOYSA-N |
| MDL Number | MFCD31690686 |
| Molecular Formula | C8H8BrNO2S |
| Molecular Weight | 262.1236 |
| SMILES | COC(C1=C(C2CC2)SC(Br)=N1)=O |
| Synonyms | methyl 2-bromo-5-cyclopropyl-1,3-thiazole-4-carboxylate,
1408235-82-4,
SCHEMBL15580298,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.121g/mol |
| Monoisotopic Mass | 260.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number