| CAS Number | 937602-46-5 |
| Catalog Number | AG00IWXY(AGN-PC-0WB0KH) |
| Chemical Name | 2-(4-Bromo-2-fluorophenyl)-1,3-thiazolane |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine |
| InChI | InChI=1S/C9H9BrFNS/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2 |
| InChI Key | FDAOCLFUOJJQOV-UHFFFAOYSA-N |
| MDL Number | MFCD09027142 |
| Molecular Formula | C9H9BrFNS |
| Molecular Weight | 262.1419 |
| SMILES | [Br]C2(=CC(F)=C(C1(SCCN1))C=C2) |
| Synonyms | 2-(4-Bromo-2-fluorophenyl)-1,3-thiazolane,
2-(4-Bromo-2-fluorophenyl)-1,3-thiazolidine,
937602-46-5,
2-(4-Bromo-2-fluorophenyl)thiazolidine,
CTK5I6807,
SBB102517,
AKOS005073188,
KA-0733,
MCULE-8980635780,
TR-065083,
KS-00002788,
bromofluorophenylthiazolane,
RP14773,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.96231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.14g/mol |
| Monoisotopic Mass | 260.96231g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number