| CAS Number | 871497-65-3 |
| Catalog Number | AG00GUEO |
| Chemical Name | 4-(Chloromethyl)-2-(4-fluorophenoxymethyl)-1,3-thiazole |
| IUPAC Name | 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole |
| InChI | InChI=1S/C11H9ClFNOS/c12-5-9-7-16-11(14-9)6-15-10-3-1-8(13)2-4-10/h1-4,7H,5-6H2 |
| InChI Key | ZPWHNYPDMVGDOC-UHFFFAOYSA-N |
| MDL Number | MFCD07352279 |
| Molecular Formula | C11H9ClFNOS |
| Molecular Weight | 257.7117 |
| SMILES | FC1=CC=C(OCC2=NC(CCl)=CS2)C=C1 |
| Synonyms | 871497-65-3,
4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole,
4-(chloromethyl)-2-(4-fluorophenoxymethyl)-1,3-thiazole,
4-(Chloromethyl)-2-((4-fluorophenoxy)methyl)thiazole,
AC1OFKKF,
AC1Q4MPM,
CTK6H6806,
ZINC4218514,
MFCD07352279,
AKOS000118255,
MCULE-5560200018,
NE13586,
EN300-14729,
J-513690,
ZINC04218514,
CID7131053,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.707g/mol |
| Monoisotopic Mass | 257.008g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number