| CAS Number | 1221723-38-1 |
| Catalog Number | AG01A7VY |
| Chemical Name | 2-(4-Bromophenyl)-1,3-thiazole-4-sulfonyl chloride |
| IUPAC Name | 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H5BrClNO2S2/c10-7-3-1-6(2-4-7)9-12-8(5-15-9)16(11,13)14/h1-5H |
| InChI Key | CZVFJQCMMUZTKX-UHFFFAOYSA-N |
| MDL Number | MFCD14705846 |
| Molecular Formula | C9H5BrClNO2S2 |
| Molecular Weight | 338.6285 |
| SMILES | ClS(C1N=C(C2=CC=C(Br)C=C2)SC=1)(=O)=O |
| Synonyms | 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl chloride,
1221723-38-1,
AC1Q3VND,
CTK5I7385,
ZINC100606103,
NE35667,
EN300-59959,
2-(4-Bromophenyl)thiazole-4-sulfonic acid chloride,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.863g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.618g/mol |
| Monoisotopic Mass | 336.863g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number