| CAS Number | 842113-80-8 |
| Catalog Number | AG00IDCU(AGN-PC-0WP1TV) |
| Chemical Name | Ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate |
| IUPAC Name | ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C13H12FNO2S/c1-2-17-12(16)7-9-8-18-13(15-9)10-5-3-4-6-11(10)14/h3-6,8H,2,7H2,1H3 |
| InChI Key | KAMZBPFZUXGACP-UHFFFAOYSA-N |
| MDL Number | MFCD06636245 |
| Molecular Formula | C13H12FNO2S |
| Molecular Weight | 265.3033 |
| SMILES | CCOC(=O)Cc1csc(n1)c1ccccc1F |
| Synonyms | ethyl 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetate,
842113-80-8,
AC1MH2TB,
HMS1603D05,
ZINC4842018,
AKOS000359500,
MCULE-8371934979,
ZINC04842018,
CID2995469,
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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 | 265.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.302g/mol |
| Monoisotopic Mass | 265.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number