| CAS Number | 170881-68-2 |
| Catalog Number | AG01ELU3 |
| Chemical Name | 2-(chloromethyl)-4-(4-fluorophenyl)-1,3-thiazole |
| IUPAC Name | 2-(chloromethyl)-4-(4-fluorophenyl)-1,3-thiazole |
| InChI | InChI=1S/C10H7ClFNS/c11-5-10-13-9(6-14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2 |
| InChI Key | OGWDYEQKXRUKQT-UHFFFAOYSA-N |
| MDL Number | MFCD17251291 |
| Molecular Formula | C10H7ClFNS |
| Molecular Weight | 227.6857 |
| SMILES | FC1=CC=C(C2N=C(CCl)SC=2)C=C1 |
| Synonyms | AKOS012220098,
2-(chloromethyl)-4-(4-fluorophenyl)-1,3-thiazole,
170881-68-2,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.681g/mol |
| Monoisotopic Mass | 226.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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