| CAS Number | 798573-44-1 |
| Catalog Number | AG01BUYG(AGN-PC-0KNUC6) |
| Chemical Name | 6-(4-bromophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole |
| IUPAC Name | 6-(4-bromophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole |
| InChI | InChI=1S/C11H5BrF3N3S/c12-7-3-1-6(2-4-7)8-5-18-10(16-8)19-9(17-18)11(13,14)15/h1-5H |
| InChI Key | KSOBBFUKPBATOA-UHFFFAOYSA-N |
| MDL Number | MFCD22573789 |
| Molecular Formula | C11H5BrF3N3S |
| Molecular Weight | 348.1417 |
| SMILES | FC(C1SC2N(C=C(C3=CC=C(Br)C=C3)N=2)N=1)(F)F |
| Synonyms | 6-(4-bromophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole,
798573-44-1,
AC1MHX37,
MFCD22573789,
ZINC33505389,
AKOS027329926,
AS-37569,
Z2680629378,
Imidazo[2,1-b]-1,3,4-thiadiazole, 6-(4-bromophenyl)-2-(trifluoromethyl)-,
AIDS221678,
CID3012968,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.141g/mol |
| Monoisotopic Mass | 346.934g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number