| CAS Number | 1548128-18-2 |
| Catalog Number | AG01C46T |
| Chemical Name | 4-Bromo-2-(propan-2-yl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-bromo-2-propan-2-ylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H10BrClO2S/c1-6(2)8-5-7(10)3-4-9(8)14(11,12)13/h3-6H,1-2H3 |
| InChI Key | BUFNQRMIXALFSY-UHFFFAOYSA-N |
| MDL Number | MFCD24287002 |
| Molecular Formula | C9H10BrClO2S |
| Molecular Weight | 297.5965 |
| SMILES | CC(C1=C(S(Cl)(=O)=O)C=CC(Br)=C1)C |
| Synonyms | 4-bromo-2-(propan-2-yl)benzene-1-sulfonyl chloride,
1548128-18-2,
SCHEMBL2814134,
ZINC97972570,
AKOS021025867,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.591g/mol |
| Monoisotopic Mass | 295.927g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number