| CAS Number | 88982-81-4 |
| Catalog Number | AG01A3Z9(AGN-PC-0OLZZI) |
| Chemical Name | 4-Bromo-1,2-thiazole-5-carboxylic acid |
| IUPAC Name | 4-bromo-1,2-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C4H2BrNO2S/c5-2-1-6-9-3(2)4(7)8/h1H,(H,7,8) |
| InChI Key | XIAKLOIPEFTZAT-UHFFFAOYSA-N |
| MDL Number | MFCD19302268 |
| Molecular Formula | C4H2BrNO2S |
| Molecular Weight | 208.0332 |
| SMILES | OC(C1=C(Br)C=NS1)=O |
| Synonyms | 4-Bromoisothiazole-5-carboxylic acid,
88982-81-4,
AKOS016370819,
4-bromo-1,2-thiazole-5-carboxylic acid,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.029g/mol |
| Monoisotopic Mass | 206.899g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number