| CAS Number | 1558527-95-9 |
| Catalog Number | AG00HYCS |
| Chemical Name | Ethyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate |
| IUPAC Name | ethyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-8-18-12(15-11)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3 |
| InChI Key | MVUAVOHKNVZAEU-UHFFFAOYSA-N |
| MDL Number | MFCD23147517 |
| Molecular Formula | C13H12FNO2S |
| Molecular Weight | 265.3033 |
| SMILES | CCOC(=O)c1csc(n1)Cc1ccc(cc1)F |
| Synonyms | Ethyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate,
1558527-95-9,
ZINC106433684,
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| Complexity | 282 |
| 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 | 3.6 |
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Certificate of Analysis
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