| CAS Number | 1157773-61-9 |
| Catalog Number | AG01AJVJ |
| Chemical Name | 1-(2-Bromoethoxy)-3-methanesulfonylbenzene |
| IUPAC Name | 1-(2-bromoethoxy)-3-methylsulfonylbenzene |
| InChI | InChI=1S/C9H11BrO3S/c1-14(11,12)9-4-2-3-8(7-9)13-6-5-10/h2-4,7H,5-6H2,1H3 |
| InChI Key | XASPJOZLITVABW-UHFFFAOYSA-N |
| MDL Number | MFCD12066170 |
| Molecular Formula | C9H11BrO3S |
| Molecular Weight | 279.1508 |
| SMILES | CS(C1=CC(OCCBr)=CC=C1)(=O)=O |
| Synonyms | 1-(2-bromoethoxy)-3-methanesulfonylbenzene,
1157773-61-9,
ZINC37369657,
NE18697,
EN300-82015,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.148g/mol |
| Monoisotopic Mass | 277.961g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number