| CAS Number | 842137-53-5 |
| Catalog Number | AG01AM02(AGN-PC-0HFMMN) |
| Chemical Name | 2-(chloromethyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(chloromethyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C5H4ClNO2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9) |
| InChI Key | AYARGRVHYSZRRW-UHFFFAOYSA-N |
| MDL Number | MFCD20636558 |
| Molecular Formula | C5H4ClNO2S |
| Molecular Weight | 177.6088 |
| SMILES | O=C(C1=CSC(CCl)=N1)O |
| Synonyms | 2-(Chloromethyl)thiazole-4-carboxylic acid,
842137-53-5,
2-(chloromethyl)-1,3-thiazole-4-carboxylic acid,
SCHEMBL2497828,
AYARGRVHYSZRRW-UHFFFAOYSA-N,
4-Thiazolecarboxylic acid, 2-(chloromethyl)-,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.602g/mol |
| Monoisotopic Mass | 176.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number