| CAS Number | 1094279-94-3 |
| Catalog Number | AG01AFWZ |
| Chemical Name | 2-bromo-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole |
| IUPAC Name | 2-bromo-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole |
| InChI | InChI=1S/C10H5BrClN3S/c11-9-14-15-5-8(13-10(15)16-9)6-1-3-7(12)4-2-6/h1-5H |
| InChI Key | HLJNVHZYIKUAMG-UHFFFAOYSA-N |
| MDL Number | MFCD11209952 |
| Molecular Formula | C10H5BrClN3S |
| Molecular Weight | 314.5888 |
| SMILES | ClC1=CC=C(C2N=C3N(N=C(S3)Br)C=2)C=C1 |
| Synonyms | 2-bromo-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole,
1094279-94-3,
ZINC36939234,
AKOS009339618,
NE34462,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.585g/mol |
| Monoisotopic Mass | 312.908g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number