| CAS Number | 138128-84-4 |
| Catalog Number | AG01AACY(AGN-PC-003HU4) |
| Chemical Name | 4-(Chloromethyl)-2-(2-fluorophenyl)-1,3-thiazole |
| IUPAC Name | 4-(chloromethyl)-2-(2-fluorophenyl)-1,3-thiazole |
| InChI | InChI=1S/C10H7ClFNS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,6H,5H2 |
| InChI Key | WJTKLJHGGGNKNE-UHFFFAOYSA-N |
| MDL Number | MFCD09729635 |
| Molecular Formula | C10H7ClFNS |
| Molecular Weight | 227.6857 |
| SMILES | FC1=C(C2SC=C(CCl)N=2)C=CC=C1 |
| Synonyms | 4-(chloromethyl)-2-(2-fluorophenyl)-1,3-thiazole,
138128-84-4,
AC1Q4L0T,
CTK6H6772,
STL302009,
ZINC19787916,
AKOS000138567,
MCULE-6501984080,
NE31277,
EN300-68238,
|
| Complexity | 193 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number