| CAS Number | 736970-78-8 |
| Catalog Number | AG00ICFD(AGN-PC-0CO5V0) |
| Chemical Name | Ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
| IUPAC Name | ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C13H12ClNO2S/c1-2-17-13(16)11-8-18-12(15-11)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3 |
| InChI Key | CYWOZMNMBLNAQJ-UHFFFAOYSA-N |
| MDL Number | MFCD25694061 |
| Molecular Formula | C13H12ClNO2S |
| Molecular Weight | 281.7579 |
| SMILES | CCOC(=O)c1csc(n1)Cc1ccccc1Cl |
| Synonyms | ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate,
736970-78-8,
SCHEMBL5216804,
ZINC137170652,
4-Thiazolecarboxylic acid, 2-[(2-chlorophenyl)methyl]-, ethyl ester,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.754g/mol |
| Monoisotopic Mass | 281.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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