| CAS Number | 1506319-63-6 |
| Catalog Number | AG00HXT9(AGN-PC-0WP1RF) |
| Chemical Name | Ethyl 2-(2-(2-chlorobenzyl)thiazol-4-yl)acetate |
| IUPAC Name | ethyl 2-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C14H14ClNO2S/c1-2-18-14(17)8-11-9-19-13(16-11)7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3 |
| InChI Key | URKSTEXEIGCVFU-UHFFFAOYSA-N |
| MDL Number | MFCD20725885 |
| Molecular Formula | C14H14ClNO2S |
| Molecular Weight | 295.7845 |
| SMILES | CCOC(=O)Cc1csc(n1)Cc1ccccc1Cl |
| Synonyms | Ethyl 2-(2-(2-chlorobenzyl)thiazol-4-yl)acetate,
1506319-63-6,
AKOS019140600,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.781g/mol |
| Monoisotopic Mass | 295.043g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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