| CAS Number | 773088-29-2 |
| Catalog Number | AG01BER6(AGN-PC-0WORCS) |
| Chemical Name | 2-Bromo-5-(1,3-dioxolan-2-yl)-1,3-thiazole |
| IUPAC Name | 2-bromo-5-(1,3-dioxolan-2-yl)-1,3-thiazole |
| InChI | InChI=1S/C6H6BrNO2S/c7-6-8-3-4(11-6)5-9-1-2-10-5/h3,5H,1-2H2 |
| InChI Key | HSHXDXOLCIWTDN-UHFFFAOYSA-N |
| MDL Number | MFCD06210128 |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.0863 |
| SMILES | BrC1SC(C2OCCO2)=CN=1 |
| Synonyms | 2-bromo-5-(1,3-dioxolan-2-yl)-1,3-thiazole,
773088-29-2,
SCHEMBL16742716,
HSHXDXOLCIWTDN-UHFFFAOYSA-N,
ZINC44231702,
AKOS026741665,
NE13115,
2-bromo-5-(1,3-dioxolan-2-yl)thiazole,
2-Bromo-5-(1, 3-dioxolan-2-yl)thiazole,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.083g/mol |
| Monoisotopic Mass | 234.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number