| CAS Number | 1211521-70-8 |
| Catalog Number | AG01BFVB(AGN-PC-0WOQWH) |
| Chemical Name | 4-Chloro-1,3-thiazole-2-carboxylic acid |
| IUPAC Name | 4-chloro-1,3-thiazole-2-carboxylic acid |
| InChI | InChI=1S/C4H2ClNO2S/c5-2-1-9-3(6-2)4(7)8/h1H,(H,7,8) |
| InChI Key | BOZVLMGZCYCCGY-UHFFFAOYSA-N |
| MDL Number | MFCD28118729 |
| Molecular Formula | C4H2ClNO2S |
| Molecular Weight | 163.5822 |
| SMILES | C1=C(N=C(S1)C(=O)O)Cl |
| Synonyms | 4-chloro-1,3-thiazole-2-carboxylic acid,
1211521-70-8,
SCHEMBL1422146,
4-Chlorothiazole-2-carboxylic acid,
MFCD28118729,
ZINC84303713,
AKOS023410581,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.575g/mol |
| Monoisotopic Mass | 162.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number