| CAS Number | 1313399-79-9 |
| Catalog Number | AG00HSFO(AGN-PC-0WNQQ1) |
| Chemical Name | 2-Bromo-4-(dimethoxymethyl)-1,3-thiazole |
| IUPAC Name | 2-bromo-4-(dimethoxymethyl)-1,3-thiazole |
| InChI | InChI=1S/C6H8BrNO2S/c1-9-5(10-2)4-3-11-6(7)8-4/h3,5H,1-2H3 |
| InChI Key | XWSARUSTBIZSML-UHFFFAOYSA-N |
| MDL Number | MFCD28143934 |
| Molecular Formula | C6H8BrNO2S |
| Molecular Weight | 238.1022 |
| SMILES | COC(c1csc(n1)Br)OC |
| Synonyms | 2-Bromo-4-(dimethoxymethyl)-1,3-thiazole,
1313399-79-9,
ZINC96300071,
Thiazole, 2-bromo-4-(dimethoxymethyl)-,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.099g/mol |
| Monoisotopic Mass | 236.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number