| CAS Number | 1261566-57-7 |
| Catalog Number | AG01A11Z |
| Chemical Name | 2-bromo-3-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-bromo-3-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6BrClO2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3 |
| InChI Key | PIFIURZNLONQND-UHFFFAOYSA-N |
| MDL Number | MFCD18089311 |
| Molecular Formula | C7H6BrClO2S |
| Molecular Weight | 269.5433 |
| SMILES | O=S(C1=CC=CC(C)=C1Br)(Cl)=O |
| Synonyms | 2-bromo-3-methylbenzene-1-sulfonyl chloride,
2-bromo-3-methylbenzenesulfonyl chloride,
1261566-57-7,
SCHEMBL3234143,
STL450352,
AKOS017558158,
ZINC100454188,
NE48192,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.537g/mol |
| Monoisotopic Mass | 267.896g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number