| CAS Number | 1421262-90-9 |
| Catalog Number | AG01FBAK(AGN-PC-3H49IC) |
| Chemical Name | 4-(4'-Bromo-4-biphenylyl)-2-methylthiazole |
| IUPAC Name | 4-[4-(4-bromophenyl)phenyl]-2-methyl-1,3-thiazole |
| InChI | InChI=1S/C16H12BrNS/c1-11-18-16(10-19-11)14-4-2-12(3-5-14)13-6-8-15(17)9-7-13/h2-10H,1H3 |
| InChI Key | QSZZRPKYBPZIRT-UHFFFAOYSA-N |
| MDL Number | MFCD22683002 |
| Molecular Formula | C16H12BrNS |
| Molecular Weight | 330.2422 |
| SMILES | Brc1ccc(cc1)c1ccc(cc1)c1csc(n1)C |
| Synonyms | 4-(4'-Bromo-4-biphenylyl)-2-methylthiazole,
1421262-90-9,
4-(4'-Bromo-[1,1'-biphenyl]-4-yl)-2-methylthiazole,
MFCD22683002,
ZINC84847108,
QC-6223,
4-(4'-bromobiphenyl-4-yl)-2-methylthiazole,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.243g/mol |
| Monoisotopic Mass | 328.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
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Certificate of Analysis
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