| CAS Number | 1094275-22-5 |
| Catalog Number | AG019VU3 |
| Chemical Name | 2-Bromo-6-(4-fluorophenyl)imidazo[2,1-B][1,3,4]thiadiazole |
| IUPAC Name | 2-bromo-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole |
| InChI | InChI=1S/C10H5BrFN3S/c11-9-14-15-5-8(13-10(15)16-9)6-1-3-7(12)4-2-6/h1-5H |
| InChI Key | LWJWCCHXBWTTRP-UHFFFAOYSA-N |
| MDL Number | MFCD11209935 |
| Molecular Formula | C10H5BrFN3S |
| Molecular Weight | 298.1342 |
| SMILES | FC1=CC=C(C2N=C3N(N=C(S3)Br)C=2)C=C1 |
| Synonyms | 2-BROMO-6-(4-FLUOROPHENYL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE,
1094275-22-5,
2-bromo-5-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole,
AC1Q4M1V,
SCHEMBL3476148,
CTK8F4154,
MFCD11209935,
ZINC36379526,
AKOS008124611,
MCULE-1463293277,
NE27022,
AS-35686,
EN300-49508,
AB01002648-01,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.133g/mol |
| Monoisotopic Mass | 296.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number