| CAS Number | 899897-20-2 |
| Catalog Number | AG00H2L1(AGN-PC-07ASQX) |
| Chemical Name | 4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI) |
| IUPAC Name | 5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C5H4BrNO2S/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9) |
| InChI Key | LACAQBIVCVSXHQ-UHFFFAOYSA-N |
| MDL Number | MFCD18821105 |
| Molecular Formula | C5H4BrNO2S |
| Molecular Weight | 222.0598 |
| SMILES | Cc1sc(c(n1)C(=O)O)Br |
| Synonyms | 899897-20-2,
5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid,
5-bromo-2-methylthiazole-4-carboxylic acid,
5-bromo-2-methyl-thiazole-4-carboxylic acid,
SCHEMBL1970147,
CTK3E7281,
DTXSID60668645,
LACAQBIVCVSXHQ-UHFFFAOYSA-N,
ZINC39121824,
AKOS023412570,
4-Thiazolecarboxylicacid, 5-bromo-2-methyl-,
4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI),
4-Thiazolecarboxylic acid, 5-bromo-2-methyl- (9CI),
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.056g/mol |
| Monoisotopic Mass | 220.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number