| CAS Number | 1784463-68-8 |
| Catalog Number | AG00261Y(AGN-PC-0WCXRU) |
| Chemical Name | 4-Thiazolecarboxylic acid, 5-chloro-, methyl ester |
| IUPAC Name | methyl 5-chloro-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C5H4ClNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3 |
| InChI Key | CBUGUIRVEVWZGR-UHFFFAOYSA-N |
| MDL Number | MFCD28520190 |
| Molecular Formula | C5H4ClNO2S |
| Molecular Weight | 177.6088 |
| SMILES | O=C(C1=C(Cl)SC=N1)OC |
| Synonyms | Methyl 5-chlorothiazole-4-carboxylate,
1784463-68-8,
MFCD28520190,
ZINC144600331,
DS-8728,
FCH3803689,
AK174453,
AX8270355,
CS-0046259,
methyl 5-chloro-1,3-thiazole-4-carboxylate,
4-Thiazolecarboxylic acid, 5-chloro-, methyl ester,
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| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.602g/mol |
| Monoisotopic Mass | 176.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number